864082-33-7
1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-[4-(TRIFLUOROMETHYL)PHENYL]-3-PYRIDINECARBOXYLIC ACID
Name1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-[4-(TRIFLUOROMETHYL)PHENYL]-3-PYRIDINECARBOXYLIC ACID
1Identification
【Name】
1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-[4-(TRIFLUOROMETHYL)PHENYL]-3-PYRIDINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD11519153
【English Synonyms】
【Formula】
C14 H12 F3 N O3
【MolWeight】
299.247
【Inchi】
InChI=1S/C14H12F3NO3/c1-7-12(13(20)21)10(6-11(19)18-7)8-2-4-9(5-3-8)14(15,16)17/h2-5,10H,6H2,1H3,(H,18,19)(H,20,21)
【InChIKey】
InChIKey=IFJBURPKZGOOSB-UHFFFAOYSA-N
【SMILES】
CC1=C(C(CC(=O)N1)c2ccc(cc2)C(F)(F)F)C(=O)O
【MOL File】
1,4,5,6-TETRAHYDRO-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-[4-(TRIFLUOROMETHYL)PHENYL]-3-PYRIDINECARBOXYLIC ACID.cml