| CAS Number | 1363382-17-5 |
| Catalog Number | AG00HUKP(AGN-PC-0WR30J) |
| Chemical Name | Ethyl 5-chloro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate |
| IUPAC Name | ethyl 5-chloro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate |
| InChI | InChI=1S/C9H8ClN3O2/c1-2-15-9(14)8-5-3-7(10)11-4-6(5)12-13-8/h3-4H,2H2,1H3,(H,12,13) |
| InChI Key | KXDILJJXOGNWNI-UHFFFAOYSA-N |
| MDL Number | MFCD22566119 |
| Molecular Formula | C9H8ClN3O2 |
| Molecular Weight | 225.6317 |
| SMILES | CCOC(=O)c1n[nH]c2c1cc(Cl)nc2 |
| Synonyms | ETHYL 5-CHLORO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXYLATE,
1363382-17-5,
ZINC206027861,
PB39217,
AS-51682,
CS-0049442,
Q-4598,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.030504g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.63g/mol |
| Monoisotopic Mass | 225.030504g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number