| CAS Number | 926195-05-3 |
| Catalog Number | AG01A88K |
| Chemical Name | 1-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid |
| IUPAC Name | 1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid |
| InChI | InChI=1S/C11H13N3O2/c1-7(2)6-14-10-8(5-13-14)3-9(4-12-10)11(15)16/h3-5,7H,6H2,1-2H3,(H,15,16) |
| InChI Key | JXXHBISQTDGFLN-UHFFFAOYSA-N |
| MDL Number | MFCD09050581 |
| Molecular Formula | C11H13N3O2 |
| Molecular Weight | 219.2398 |
| SMILES | CC(CN1C2=C(C=C(C(O)=O)C=N2)C=N1)C |
| Synonyms | 1-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid,
926195-05-3,
CTK6A8521,
ZINC22149725,
AKOS000133897,
MCULE-9379671128,
NE41019,
EN300-61028,
Z729162366,
AC1Q1PMZ,
1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 1-(2-methylpropyl),
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.100777g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.24g/mol |
| Monoisotopic Mass | 219.100777g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number