| CAS Number | 1268520-92-8 |
| Catalog Number | AG000TCK(AGN-PC-0WHEKS) |
| Chemical Name | 1H-Pyrazolo[3,4-b]pyridine, 4-chloro-1-methyl- |
| IUPAC Name | 4-chloro-1-methylpyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C7H6ClN3/c1-11-7-5(4-10-11)6(8)2-3-9-7/h2-4H,1H3 |
| InChI Key | XYCQHBVGJNXHGP-UHFFFAOYSA-N |
| MDL Number | MFCD17011807 |
| Molecular Formula | C7H6ClN3 |
| Molecular Weight | 167.5956 |
| SMILES | CN1N=CC2=C(Cl)C=CN=C21 |
| Synonyms | 4-Chloro-1-methyl-1H-pyrazolo[3,4-b]pyridine,
1268520-92-8,
SCHEMBL129887,
CTK8C6642,
ZINC67172988,
AKOS015851021,
NE24591,
SB13886,
TC-063540,
1H-Pyrazolo[3,4-b]pyridine, 4-chloro-1-methyl-,
675111-88-3,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.596g/mol |
| Monoisotopic Mass | 167.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number