| CAS Number | 2060051-45-6 |
| Catalog Number | AG01B3YJ |
| Chemical Name | 4,6-Dichloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine |
| IUPAC Name | 4,6-dichloro-1,3-dimethylpyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C8H7Cl2N3/c1-4-7-5(9)3-6(10)11-8(7)13(2)12-4/h3H,1-2H3 |
| InChI Key | CAYCBZPKHZCRTI-UHFFFAOYSA-N |
| MDL Number | MFCD30476098 |
| Molecular Formula | C8H7Cl2N3 |
| Molecular Weight | 216.0673 |
| SMILES | CC1C2=C(N=C(C=C2Cl)Cl)N(C)N=1 |
| Synonyms | 4,6-dichloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine,
2060051-45-6,
ZINC231498364,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.065g/mol |
| Monoisotopic Mass | 215.002g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number