A1JQL
Summary
| Name: | 3-(4-fluorophenyl)-6-pyrrol-1-yl-pyridine-2-carboxylic acid |
| Formula: | C16 H11 F N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 282.269 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(4-fluorophenyl)-6-pyrrol-1-yl-pyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H11FN2O2/c17-12-5-3-11(4-6-12)13-7-8-14(18-15(13)16(20)21)19-9-1-2-10-19/h1-10H,(H,20,21) |
| InChIKey | InChI | 1.06 | MHXYWACDSIHDMB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1nc(ccc1c2ccc(F)cc2)n3cccc3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1nc(ccc1c2ccc(F)cc2)n3cccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccn(c1)c2ccc(c(n2)C(=O)O)c3ccc(cc3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccn(c1)c2ccc(c(n2)C(=O)O)c3ccc(cc3)F |
