929971-42-6
3-(6-CHLORO-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-5-YL)ACRYLIC ACID
Name3-(6-CHLORO-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-5-YL)ACRYLIC ACID
1Identification
【Name】
3-(6-CHLORO-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-5-YL)ACRYLIC ACID
【CAS】
【MDL】
MFCD08691398
【English Synonyms】
【Formula】
C11 H10 Cl N3 O2
【MolWeight】
251.672
【Inchi】
InChI=1S/C11H10ClN3O2/c1-6-8-5-7(3-4-9(16)17)10(12)13-11(8)15(2)14-6/h3-5H,1-2H3,(H,16,17)/b4-3+
【InChIKey】
InChIKey=OEDMRZLVACHJOH-ONEGZZNKSA-N
【SMILES】
Cc1c2cc(c(nc2n(n1)C)Cl)/C=C/C(=O)O
【MOL File】
3-(6-CHLORO-1,3-DIME….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
3-(6-CHLORO-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-5-YL)ACRYLIC ACID.cml