| CAS Number | 1131912-88-3 |
| Catalog Number | AG008ZFQ(AGN-PC-0WNNDL) |
| Chemical Name | 1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLIC ACID |
| IUPAC Name | 1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid |
| InChI | InChI=1S/C8H7N3O2/c1-11-7-5(4-10-11)2-6(3-9-7)8(12)13/h2-4H,1H3,(H,12,13) |
| InChI Key | GZBXJRACVPGWTE-UHFFFAOYSA-N |
| MDL Number | MFCD11043028 |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.1601 |
| SMILES | O=C(C1=CN=C(N(C)N=C2)C2=C1)O |
| Synonyms | 1131912-88-3,
1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLIC ACID,
1-Methyl-1H-pyrazolo[3,4-b]-pyridine-5-carboxylic acid,
SCHEMBL4044984,
1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 1-methyl-,
MFCD11043028,
ZINC40543733,
AKOS011076883,
MCULE-8274214298,
PB10849,
AS-50755,
CS-0053841,
Q-2786,
Z1324054916,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.163g/mol |
| Monoisotopic Mass | 177.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number