| CAS Number | 19867-78-8 |
| Catalog Number | AG01BTOE |
| Chemical Name | 4-Chloro-1,6-dimethyl-1H-pyrazolo[3,4-b]pyridine |
| IUPAC Name | 4-chloro-1,6-dimethylpyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C8H8ClN3/c1-5-3-7(9)6-4-10-12(2)8(6)11-5/h3-4H,1-2H3 |
| InChI Key | IKNCIDGRQNLKPF-UHFFFAOYSA-N |
| MDL Number | MFCD30730652 |
| Molecular Formula | C8H8ClN3 |
| Molecular Weight | 181.6222 |
| SMILES | CC1=NC2=C(C=NN2C)C(Cl)=C1 |
| Synonyms | 4-chloro-1,6-dimethyl-1H-pyrazolo[3,4-b]pyridine,
19867-78-8,
ZINC84229998,
AKOS023398683,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.623g/mol |
| Monoisotopic Mass | 181.041g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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