| CAS Number | 1057672-77-1 |
| Catalog Number | AG01AHGZ(AGN-PC-0WOUWG) |
| Chemical Name | 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine |
| IUPAC Name | 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C8H8ClN3/c1-5-7-6(9)3-4-10-8(7)12(2)11-5/h3-4H,1-2H3 |
| InChI Key | NJYNJEXXULEPRX-UHFFFAOYSA-N |
| MDL Number | MFCD09744140 |
| Molecular Formula | C8H8ClN3 |
| Molecular Weight | 181.6222 |
| SMILES | ClC1=C2C(=NC=C1)N(N=C2C)C |
| Synonyms | 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine,
1057672-77-1,
SCHEMBL4061568,
ZINC71607036,
AKOS006281903,
NE18057,
4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine,
A811824,
4-chloranyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine,
175201-94-2,
|
| 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
Lot Number