937606-00-3
[3-CYCLOPROPYL-6-METHYL-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
Name[3-CYCLOPROPYL-6-METHYL-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
pro_formulaC13 H12 F3 N3 O2
1Identification
【Name】
[3-CYCLOPROPYL-6-METHYL-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
【CAS】
【MDL】
MFCD08697662
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H12 F3 N3 O2
【pro_molWeight】
299.251
【Inchi】
InChI=1S/C13H12F3N3O2/c1-6-4-8(13(14,15)16)10-11(7-2-3-7)18-19(5-9(20)21)12(10)17-6/h4,7H,2-3,5H2,1H3,(H,20,21)
【InChIKey】
InChIKey=PDEKKKQBJUJOQT-UHFFFAOYSA-N
【SMILES】
Cc1cc(c2c(nn(c2n1)CC(=O)O)C3CC3)C(F)(F)F
【MOL File】
[3-CYCLOPROPYL-6-MET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
[3-CYCLOPROPYL-6-METHYL-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID.cml