54530-73-3
6-METHYL-2-(3'-TRIFLUOROMETHYLANILINO)NICOTINIC ACID
Name6-METHYL-2-(3'-TRIFLUOROMETHYLANILINO)NICOTINIC ACID
1Identification
【Name】
6-METHYL-2-(3'-TRIFLUOROMETHYLANILINO)NICOTINIC ACID
【CAS】
【MDL】
MFCD01711726
【English Synonyms】
【Formula】
C14 H11 F3 N2 O2
【MolWeight】
296.247
【Inchi】
InChI=1S/C14H11F3N2O2/c1-8-5-6-11(13(20)21)12(18-8)19-10-4-2-3-9(7-10)14(15,16)17/h2-7H,1H3,(H,18,19)(H,20,21)
【InChIKey】
InChIKey=KMNCTHOWFYWWGV-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(n1)Nc2cccc(c2)C(F)(F)F)C(=O)O
【MOL File】
6-METHYL-2-(3'-TRIFL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-METHYL-2-(3'-TRIFLUOROMETHYLANILINO)NICOTINIC ACID.cml