54738-82-8
ETHYL 1-(4-CHLOROPHENYL)-4-OXO-4,7-DIHYDRO-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
NameETHYL 1-(4-CHLOROPHENYL)-4-OXO-4,7-DIHYDRO-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
1Identification
【Name】
ETHYL 1-(4-CHLOROPHENYL)-4-OXO-4,7-DIHYDRO-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD06661797
【English Synonyms】
【Formula】
C15 H12 Cl N3 O3
【MolWeight】
317.731
【Inchi】
InChI=1S/C15H12ClN3O3/c1-2-22-15(21)12-7-17-14-11(13(12)20)8-18-19(14)10-5-3-9(16)4-6-10/h3-8H,2H2,1H3,(H,17,20)
【InChIKey】
InChIKey=YIOCQFPPPBPETN-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c[nH]c2c(c1=O)cnn2c3ccc(cc3)Cl
【MOL File】
ETHYL 1-(4-CHLOROPHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 1-(4-CHLOROPHENYL)-4-OXO-4,7-DIHYDRO-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE.cml