834897-24-4
METHYL 1,3-DIMETHYL-6-(3-NITROPHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLATE
NameMETHYL 1,3-DIMETHYL-6-(3-NITROPHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLATE
1Identification
【Name】
METHYL 1,3-DIMETHYL-6-(3-NITROPHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD06195690
【English Synonyms】
【Formula】
C16 H14 N4 O4
【MolWeight】
326.311
【Inchi】
InChI=1S/C16H14N4O4/c1-9-14-12(16(21)24-3)8-13(17-15(14)19(2)18-9)10-5-4-6-11(7-10)20(22)23/h4-8H,1-3H3
【InChIKey】
InChIKey=QUSKCEBZYGKHSN-UHFFFAOYSA-N
【SMILES】
Cc1c2c(cc(nc2n(n1)C)c3cccc(c3)[N+](=O)[O-])C(=O)OC
【MOL File】
METHYL 1,3-DIMETHYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 1,3-DIMETHYL-6-(3-NITROPHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLATE.cml