832743-11-0
1-ETHYL-3,6-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID
Name1-ETHYL-3,6-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID
1Identification
【Name】
1-ETHYL-3,6-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD05667385
【English Synonyms】
【Formula】
C11 H13 N3 O2
【MolWeight】
219.243
【Inchi】
InChI=1S/C11H13N3O2/c1-4-14-10-9(7(3)13-14)8(11(15)16)5-6(2)12-10/h5H,4H2,1-3H3,(H,15,16)
【InChIKey】
InChIKey=GUOZZOGMGQZTPA-UHFFFAOYSA-N
【SMILES】
CCn1c2c(c(n1)C)c(cc(n2)C)C(=O)O
【MOL File】
1-ETHYL-3,6-DIMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-ETHYL-3,6-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID.cml