265985-98-6
4-(3,4-DIFLUOROPHENYL)-1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-3-PYRIDINECARBOXYLIC ACID
Name4-(3,4-DIFLUOROPHENYL)-1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-3-PYRIDINECARBOXYLIC ACID
1Identification
【Name】
4-(3,4-DIFLUOROPHENYL)-1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-3-PYRIDINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD11519152
【English Synonyms】
【Formula】
C13 H11 F2 N O3
【MolWeight】
267.23
【Inchi】
InChI=1S/C13H11F2NO3/c1-6-12(13(18)19)8(5-11(17)16-6)7-2-3-9(14)10(15)4-7/h2-4,8H,5H2,1H3,(H,16,17)(H,18,19)
【InChIKey】
InChIKey=NSMRVZQSTBZQAY-UHFFFAOYSA-N
【SMILES】
CC1=C(C(CC(=O)N1)c2ccc(c(c2)F)F)C(=O)O
【MOL File】
4-(3,4-DIFLUOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3,4-DIFLUOROPHENYL)-1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-3-PYRIDINECARBOXYLIC ACID.cml