NFL
Summary
Name: | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID |
Synonyms: | 2-[(3-TRIFLUOROMETHYL)PHENYL]AMINO-3-PYRIDINE-CARBOXYLIC ACID |
Formula: | C13 H9 F3 N2 O2 |
Formal charge: | 0 |
Formula weight: | 282.218 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid |
OpenEye OEToolkits | 1.5.0 | 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F |
SMILES | CACTVS | 3.341 | OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20) |
InChIKey | InChI | 1.03 | JZFPYUNJRRFVQU-UHFFFAOYSA-N |