Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 07:41:31 UTC |
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Updated at | 2021-07-15 17:39:15 UTC |
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NP-MRD ID | NP0022516 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | SF2738D |
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Provided By | NPAtlas |
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Description | SF2738D is found in Streptomyces sp. It was first documented in 1994 (PMID: 7844033). Based on a literature review very few articles have been published on CHEMBL1834108. |
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Structure | [H]C1=NC(=C([H])C([H])=C1[H])C1=NC(C#N)=C(SC([H])([H])[H])C(OC([H])([H])[H])=C1[H] InChI=1S/C13H11N3OS/c1-17-12-7-10(9-5-3-4-6-15-9)16-11(8-14)13(12)18-2/h3-7H,1-2H3 |
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Synonyms | Value | Source |
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4-Methoxy-5-(methylsulphanyl)-[2,2'-bipyridine]-6-carbonitrile | Generator |
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Chemical Formula | C13H11N3OS |
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Average Mass | 257.3100 Da |
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Monoisotopic Mass | 257.06228 Da |
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IUPAC Name | 4-methoxy-5-(methylsulfanyl)-[2,2'-bipyridine]-6-carbonitrile |
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Traditional Name | 4-methoxy-5-(methylsulfanyl)-[2,2'-bipyridine]-6-carbonitrile |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC(=NC(C#N)=C1SC)C1=CC=CC=N1 |
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InChI Identifier | InChI=1S/C13H11N3OS/c1-17-12-7-10(9-5-3-4-6-15-9)16-11(8-14)13(12)18-2/h3-7H,1-2H3 |
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InChI Key | VIGCSVTZFAZTIX-UHFFFAOYSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Pyridines and derivatives |
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Sub Class | Bipyridines and oligopyridines |
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Direct Parent | Bipyridines and oligopyridines |
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Alternative Parents | |
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Substituents | - Bipyridine
- Aryl thioether
- Alkyl aryl ether
- Alkylarylthioether
- Heteroaromatic compound
- Ether
- Carbonitrile
- Nitrile
- Thioether
- Sulfenyl compound
- Azacycle
- Organooxygen compound
- Organonitrogen compound
- Organosulfur compound
- Organic nitrogen compound
- Cyanide
- Organic oxygen compound
- Hydrocarbon derivative
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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