A1JLJ
Summary
| Name: | 4-(4-fluorophenyl)pyridine-2-carboxylic acid |
| Synonyms: | 4-(4-fluorophenyl)picolinic acid |
| Formula: | C12 H8 F N O2 |
| Formal charge: | 0 |
| Formula weight: | 217.196 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(4-fluorophenyl)pyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H8FNO2/c13-10-3-1-8(2-4-10)9-5-6-14-11(7-9)12(15)16/h1-7H,(H,15,16) |
| InChIKey | InChI | 1.06 | OIGZQCHOUATCFX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(ccn1)c2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(ccn1)c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccnc(c2)C(=O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccnc(c2)C(=O)O)F |
