6P3
Summary
| Name: | 6-phenylpyridine-3-carboxylic acid |
| Formula: | C12 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 199.205 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-phenylpyridine-3-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 6-phenylpyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2cnc(c1ccccc1)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H9NO2/c14-12(15)10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15) |
| InChIKey | InChI | 1.03 | DLFLQXUYRFIFOK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc(nc1)c2ccccc2 |
| SMILES | CACTVS | 3.370 | OC(=O)c1ccc(nc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2ccc(cn2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2ccc(cn2)C(=O)O |
