| CAS Number | 1093636-79-3 |
| Catalog Number | AG009A5K(AGN-PC-0WNL7S) |
| Chemical Name | 5-PYRIDIN-3-YL-1H-PYRAZOLE-3-CARBOXYLIC ACIDHYDROCHLORIDE |
| IUPAC Name | 3-pyridin-3-yl-1H-pyrazole-5-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H7N3O2.ClH/c13-9(14)8-4-7(11-12-8)6-2-1-3-10-5-6;/h1-5H,(H,11,12)(H,13,14);1H |
| InChI Key | VWIQXXBPFUAVED-UHFFFAOYSA-N |
| MDL Number | MFCD09997651 |
| Molecular Formula | C9H8ClN3O2 |
| Molecular Weight | 225.6317 |
| SMILES | O=C(C1=NNC(C2=CC=CN=C2)=C1)O.[H]Cl |
| Synonyms | 1093636-79-3,
5-Pyridin-3-yl-1H-pyrazole-3-carboxylic acid hydrochloride,
5-(pyridin-3-yl)-1H-pyrazole-3-carboxylic acid hydrochloride,
3-(3-pyridinyl)-1H-pyrazole-5-carboxylic acid hydrochloride,
3-pyridin-3-yl-1H-pyrazole-5-carboxylic acid hydrochloride,
SCHEMBL71016,
CTK7J0817,
DTXSID70589276,
VWIQXXBPFUAVED-UHFFFAOYSA-N,
MFCD08098918,
AKOS015849776,
AKOS024301789,
MCULE-3157333472,
EN300-191438,
3-(Pyridin-3-yl)-1H-pyrazole-5-carboxylic acid--hydrogen chloride (1/1),
5-Pyridin-3-yl-1H-pyrazole-3-carboxylic acidhydrochloride,
374064-01-4,
|
| 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