| CAS Number | 1227268-91-8 |
| Catalog Number | AG000J4H |
| Chemical Name | 3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| IUPAC Name | 3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C9H9N3O2/c1-4-3-6(9(13)14)7-5(2)11-12-8(7)10-4/h3H,1-2H3,(H,13,14)(H,10,11,12) |
| InChI Key | GGAJHILUHAQRBU-UHFFFAOYSA-N |
| MDL Number | MFCD16040096 |
| Molecular Formula | C9H9N3O2 |
| Molecular Weight | 191.1867 |
| SMILES | CC1C2=C(N=C(C=C2C(O)=O)C)NN=1 |
| Synonyms | 3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid,
1227268-91-8,
AC1Q2Q5P,
SCHEMBL12950519,
GGAJHILUHAQRBU-UHFFFAOYSA-N,
ZINC47843993,
AKOS023166459,
MCULE-6609982730,
NE15908,
EN300-61858,
Z1171979247,
1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 3,6-dimethyl-,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.19g/mol |
| Monoisotopic Mass | 191.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number