| CAS Number | 94847-20-8 |
| Catalog Number | AG01E7X0(AGN-PC-0ONZ3U) |
| Chemical Name | 4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-ol |
| IUPAC Name | 4-(trifluoromethyl)-1,7-dihydropyrazolo[3,4-b]pyridin-6-one |
| InChI | InChI=1S/C7H4F3N3O/c8-7(9,10)4-1-5(14)12-6-3(4)2-11-13-6/h1-2H,(H2,11,12,13,14) |
| InChI Key | HPMYGOVTLTVSLD-UHFFFAOYSA-N |
| MDL Number | MFCD18253843 |
| Molecular Formula | C7H4F3N3O |
| Molecular Weight | 203.1214 |
| SMILES | OC1=NC2=C(C=NN2)C(C(F)(F)F)=C1 |
| Synonyms | 4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-ol,
94847-20-8,
SCHEMBL5579310,
SCHEMBL16244570,
HPMYGOVTLTVSLD-UHFFFAOYSA-N,
AKOS026482775,
AKOS026741157,
ZINC170641237,
J3.578.162E,
F8887-5154,
Z1983079687,
4-(trifluoromethyl)-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one,
4-(Trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-6(7H)-one,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.124g/mol |
| Monoisotopic Mass | 203.031g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number