| CAS Number | 865610-69-1 |
| Catalog Number | AG00J3GR(AGN-PC-0V6KWH) |
| Chemical Name | 3-(4-pyridinyl)-1H-pyrazole-5-carboxylic acid hydrochloride |
| IUPAC Name | 3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H7N3O2.ClH/c13-9(14)8-5-7(11-12-8)6-1-3-10-4-2-6;/h1-5H,(H,11,12)(H,13,14);1H |
| InChI Key | BRVJMIHOVGVNJJ-UHFFFAOYSA-N |
| MDL Number | MFCD07783846 |
| Molecular Formula | C9H8ClN3O2 |
| Molecular Weight | 225.6317 |
| SMILES | C1(C(O)=O)NN=C(C2C=CN=CC=2)C=1.Cl |
| Synonyms | 3-(4-Pyridinyl)-1H-pyrazole-5-carboxylic acid hydrochloride,
865610-69-1,
MFCD10703054,
MFCD07783846,
AKOS015961849,
AKOS032958460,
MCULE-5039548329,
EN300-191478,
3-(Pyridin-4-yl)-1H-pyrazole-5-carboxylic acid (HCl),
197775-45-4,
|
| Complexity | 216 |
| 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