| CAS Number | 1363405-82-6 |
| Catalog Number | AG0011RY(AGN-PC-0WCYM8) |
| Chemical Name | 4-CHLORO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-5-AMINE |
| IUPAC Name | 4-chloro-1-methylpyrazolo[3,4-b]pyridin-5-amine |
| InChI | InChI=1S/C7H7ClN4/c1-12-7-4(2-11-12)6(8)5(9)3-10-7/h2-3H,9H2,1H3 |
| InChI Key | PLUIIJDTIZGZEK-UHFFFAOYSA-N |
| MDL Number | MFCD00080660 |
| Molecular Formula | C7H7ClN4 |
| Molecular Weight | 182.6103 |
| SMILES | CN1N=CC2=C1N=CC(N)=C2Cl |
| Synonyms | 4-CHLORO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-5-AMINE,
1363405-82-6,
MFCD21607260,
ZINC91691041,
AS-36243,
X-2745,
1H-Pyrazolo[3,4-b]pyridin-5-amine, 4-chloro-1-methyl-,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.611g/mol |
| Monoisotopic Mass | 182.036g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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