A1JNJ
Summary
| Name: | 6-(1~{H}-pyrazol-4-yl)pyridine-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 |
| OpenEye OEToolkits | 2.0.7 | 6-(1~{H}-pyrazol-4-yl)pyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H7N3O2/c13-9(14)6-1-2-8(10-3-6)7-4-11-12-5-7/h1-5H,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.06 | HOWKGKXZKIRBGK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(nc1)c2c[nH]nc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(nc1)c2c[nH]nc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ncc1C(=O)O)c2c[nH]nc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ncc1C(=O)O)c2c[nH]nc2 |
