ODK
Summary
| Name: | 3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid |
| Synonyms: | 5-Pyridin-2-yl-2H-pyrazole-3-carboxylic acid |
| Formula: | C9 H7 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 189.171 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(pyridin-2-yl)-1H-pyrazole-5-carboxylic acid |
| OpenEye OEToolkits | 1.7.0 | 3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(nn1)c2ncccc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1[nH]nc(c1)c2ccccn2 |
| SMILES | CACTVS | 3.370 | OC(=O)c1[nH]nc(c1)c2ccccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccnc(c1)c2cc([nH]n2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccnc(c1)c2cc([nH]n2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6/h1-5H,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.03 | SJBWHTBPIJXUFP-UHFFFAOYSA-N |
