JBO
Summary
| Name: | 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid |
| Formula: | C14 H11 F3 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 296.245 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21) |
| InChIKey | InChI | 1.03 | NOOCSNJCXJYGPE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(Nc2ncccc2C(O)=O)cccc1C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1c(Nc2ncccc2C(O)=O)cccc1C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1Nc2c(cccn2)C(=O)O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1Nc2c(cccn2)C(=O)O)C(F)(F)F |
