| CAS Number | 1019075-47-8 |
| Catalog Number | AG019KXF(AGN-PC-0WO7EJ) |
| Chemical Name | 2-(1H-pyrazol-1-yl)pyridine-3-carboxylic acid |
| IUPAC Name | 2-pyrazol-1-ylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H7N3O2/c13-9(14)7-3-1-4-10-8(7)12-6-2-5-11-12/h1-6H,(H,13,14) |
| InChI Key | QJOLBVFQPQOKON-UHFFFAOYSA-N |
| MDL Number | MFCD09802092 |
| Molecular Formula | C9H7N3O2 |
| Molecular Weight | 189.1708 |
| SMILES | OC(C1=C(N2N=CC=C2)N=CC=C1)=O |
| Synonyms | 2-(1H-pyrazol-1-yl)pyridine-3-carboxylic acid,
2-(1H-pyrazol-1-yl)nicotinic acid,
1019075-47-8,
AC1Q72DB,
SCHEMBL7090852,
CTK7I9815,
ZINC12505855,
AKOS000263292,
MCULE-4205620060,
NE32364,
EN300-28893,
Z278210618,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.174g/mol |
| Monoisotopic Mass | 189.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number