| CAS Number | 1340062-44-3 |
| Catalog Number | AG01BXIB |
| Chemical Name | 1-Methyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde |
| IUPAC Name | 1-methylpyrazolo[3,4-b]pyridine-5-carbaldehyde |
| InChI | InChI=1S/C8H7N3O/c1-11-8-7(4-10-11)2-6(5-12)3-9-8/h2-5H,1H3 |
| InChI Key | LXQLWVNFWHGYNB-UHFFFAOYSA-N |
| MDL Number | MFCD18878339 |
| Molecular Formula | C8H7N3O |
| Molecular Weight | 161.1607 |
| SMILES | O=Cc1cnc2c(c1)cnn2C |
| Synonyms | 1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde,
1340062-44-3,
ZINC82405184,
AKOS013082333,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.164g/mol |
| Monoisotopic Mass | 161.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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