| CAS Number | 1094442-46-2 |
| Catalog Number | AG01B88F |
| Chemical Name | 1-ethyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid |
| IUPAC Name | 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid |
| InChI | InChI=1S/C10H11N3O2/c1-3-13-9-7(5-11-13)4-8(10(14)15)6(2)12-9/h4-5H,3H2,1-2H3,(H,14,15) |
| InChI Key | BKSSTKYOAKCIKS-UHFFFAOYSA-N |
| MDL Number | MFCD11186166 |
| Molecular Formula | C10H11N3O2 |
| Molecular Weight | 205.2132 |
| SMILES | CCN1C2=C(C=C(C(=N2)C)C(O)=O)C=N1 |
| Synonyms | 1-ethyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid,
1094442-46-2,
ZINC36906484,
AKOS009323063,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.217g/mol |
| Monoisotopic Mass | 205.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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