| CAS Number | 23002-49-5 |
| Catalog Number | AG00I4IG(AGN-PC-0KKKQQ) |
| Chemical Name | 1-Methylpyrazolo[3,4-b]pyridine |
| IUPAC Name | 1-methylpyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C7H7N3/c1-10-7-6(5-9-10)3-2-4-8-7/h2-5H,1H3 |
| InChI Key | AZWPZEGGNCFEKN-UHFFFAOYSA-N |
| MDL Number | MFCD06661872 |
| Molecular Formula | C7H7N3 |
| Molecular Weight | 133.1506 |
| SMILES | Cn1ncc2c1nccc2 |
| Synonyms | 1-methyl-1H-pyrazolo[3,4-b]pyridine,
23002-49-5,
1-methylpyrazolo[3,4-b]pyridine,
AC1MBSBD,
SCHEMBL256383,
ZINC3852697,
AKOS004910347,
SB17562,
ZINC03852697,
CID2755888,
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| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 133.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 133.154g/mol |
| Monoisotopic Mass | 133.064g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number