NFL

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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
Molecular weight:282.218 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid
OpenEye OEToolkits1.5.02-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O
SMILES_CANONICALCACTVS3.341OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F
SMILESCACTVS3.341OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F
InChIInChI1.03InChI=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)
InChIKeyInChI1.03JZFPYUNJRRFVQU-UHFFFAOYSA-N