VM1
5-(2-thienyl)nicotinic acid
Created: | 2009-09-18 |
Last modified: | 2020-05-26 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 21 |
Chiral Atom Count | 0 |
Bond Count | 22 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 5-(2-thienyl)nicotinic acid |
Synonyms | 5-thiophen-2-ylpyridine-3-carboxylic acid; 5-(thien-2-yl)nicotinic acid |
Systematic Name (OpenEye OEToolkits) | 5-thiophen-2-ylpyridine-3-carboxylic acid |
Formula | C10 H7 N O2 S |
Molecular Weight | 205.233 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(O)c2cncc(c1sccc1)c2 |
SMILES | CACTVS | 3.352 | OC(=O)c1cncc(c1)c2sccc2 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(sc1)c2cc(cnc2)C(=O)O |
Canonical SMILES | CACTVS | 3.352 | OC(=O)c1cncc(c1)c2sccc2 |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(sc1)c2cc(cnc2)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C10H7NO2S/c12-10(13)8-4-7(5-11-6-8)9-2-1-3-14-9/h1-6H,(H,12,13) |
InChIKey | InChI | 1.03 | DFWKRZGYBOVSKW-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 2776322 |