| CAS Number | 2091549-02-7 |
| Catalog Number | AG01B3YL |
| Chemical Name | 6-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-ol |
| IUPAC Name | 6-chloro-1,3-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one |
| InChI | InChI=1S/C8H8ClN3O/c1-4-7-5(13)3-6(9)10-8(7)12(2)11-4/h3H,1-2H3,(H,10,13) |
| InChI Key | MYQAKDJIPSBOJQ-UHFFFAOYSA-N |
| MDL Number | MFCD30657701 |
| Molecular Formula | C8H8ClN3O |
| Molecular Weight | 197.6216 |
| SMILES | CC1C2=C(N=C(C=C2O)Cl)N(C)N=1 |
| Synonyms | 6-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-ol,
2091549-02-7,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.622g/mol |
| Monoisotopic Mass | 197.036g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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