0WS
Summary
| Name: | 2-(1H-pyrazol-3-yl)pyridine-4-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 | 2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2ccnc(c1nncc1)c2 |
| InChI | InChI | 1.03 | InChI=1S/C9H7N3O2/c13-9(14)6-1-3-10-8(5-6)7-2-4-11-12-7/h1-5H,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.03 | NTNYOLXCVCDWFY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccnc(c1)c2cc[nH]n2 |
| SMILES | CACTVS | 3.370 | OC(=O)c1ccnc(c1)c2cc[nH]n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c[nH]nc1c2cc(ccn2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c[nH]nc1c2cc(ccn2)C(=O)O |
