864082-31-5
1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-(4-CHLOROPHENYL)-3-PYRIDINECARBOXYLIC ACID
Name1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-(4-CHLOROPHENYL)-3-PYRIDINECARBOXYLIC ACID
1Identification
【Name】
1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-(4-CHLOROPHENYL)-3-PYRIDINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD11519154
【English Synonyms】
【Formula】
C13 H12 Cl N O3
【MolWeight】
265.695
【Inchi】
InChI=1S/C13H12ClNO3/c1-7-12(13(17)18)10(6-11(16)15-7)8-2-4-9(14)5-3-8/h2-5,10H,6H2,1H3,(H,15,16)(H,17,18)
【InChIKey】
InChIKey=LEUWBMAQQQENOO-UHFFFAOYSA-N
【SMILES】
CC1=C(C(CC(=O)N1)c2ccc(cc2)Cl)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:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-(4-CHLOROPHENYL)-3-PYRIDINECARBOXYLIC ACID.cml