| CAS Number | 1260535-94-1 |
| Catalog Number | AG01ELGH |
| Chemical Name | CHEMHERE CHEM105266 |
| IUPAC Name | 4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C9H10ClN3/c1-5(2)8-7-6(10)3-4-11-9(7)13-12-8/h3-5H,1-2H3,(H,11,12,13) |
| InChI Key | XAWZPCYFBBSSFU-UHFFFAOYSA-N |
| MDL Number | MFCD28643575 |
| Molecular Formula | C9H10ClN3 |
| Molecular Weight | 195.6488 |
| SMILES | CC(C1C2=C(N=CC=C2Cl)NN=1)C |
| Synonyms | 1260535-94-1,
4-chloro-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine,
SCHEMBL2691540,
CHEMHERE CHEM105266,
XAWZPCYFBBSSFU-UHFFFAOYSA-N,
1H-Pyrazolo[3,4-b]pyridine, 4-chloro-3-(1-methylethyl)-,
SB18367,
4-Chloro-3-isopropyl-1H-pyrazolo[3,4-b]pyridine,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.65g/mol |
| Monoisotopic Mass | 195.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number