VM1
Summary
| Name: | 5-(2-thienyl)nicotinic acid |
| Synonyms: | 5-thiophen-2-ylpyridine-3-carboxylic acid 5-(thien-2-yl)nicotinic acid |
| Formula: | C10 H7 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 205.233 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 5-(thiophen-2-yl)pyridine-3-carboxylic acid |
| OpenEye OEToolkits | 1.6.1 | 5-thiophen-2-ylpyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)c2cncc(c1sccc1)c2 |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)c1cncc(c1)c2sccc2 |
| SMILES | CACTVS | 3.352 | OC(=O)c1cncc(c1)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(sc1)c2cc(cnc2)C(=O)O |
| 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 |
