| CAS Number | 1221724-80-6 |
| Catalog Number | AG019WAS(AGN-PC-0WODQZ) |
| Chemical Name | 1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde |
| IUPAC Name | 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde |
| InChI | InChI=1S/C9H9N3O/c1-6-8-3-7(5-13)4-10-9(8)12(2)11-6/h3-5H,1-2H3 |
| InChI Key | OLOZBXHUXMYKEO-UHFFFAOYSA-N |
| MDL Number | MFCD13368189 |
| Molecular Formula | C9H9N3O |
| Molecular Weight | 175.1873 |
| SMILES | CC1C2=C(N=CC(=C2)C=O)N(C)N=1 |
| Synonyms | 1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde,
1221724-80-6,
AC1Q409P,
CTK7I0438,
ZINC39947109,
AKOS010207534,
MCULE-3407140639,
NE30106,
EN300-51266,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.191g/mol |
| Monoisotopic Mass | 175.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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