| CAS Number | 1188375-21-4 |
| Catalog Number | AG01BGLO |
| Chemical Name | 3-(pyridin-2-yl)-1H-pyrazole-5-carboxylic acid hydrochloride |
| IUPAC Name | 3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H7N3O2.ClH/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6;/h1-5H,(H,11,12)(H,13,14);1H |
| InChI Key | LFMKIALFYQDOPW-UHFFFAOYSA-N |
| MDL Number | MFCD09997602 |
| Molecular Formula | C9H8ClN3O2 |
| Molecular Weight | 225.6317 |
| SMILES | Cl.OC(C1NN=C(C2=NC=CC=C2)C=1)=O |
| Synonyms | 3-(Pyridin-2-yl)-1H-pyrazole-5-carboxylic acid hydrochloride,
5-Pyridin-2-yl-2H-pyrazole-3-carboxylic acid hydrochloride,
1188375-21-4,
SCHEMBL72580,
CTK7I5936,
LFMKIALFYQDOPW-UHFFFAOYSA-N,
AKOS015849515,
EN300-191461,
5-pyridin-2-yl-1H-pyrazole-3-carboxylic acid hydrochloride,
5-(pyridin-2-yl)-2H-pyrazole-3-carboxylic acid hydrochloride,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.632g/mol |
| Monoisotopic Mass | 225.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number