| CAS Number | 852227-98-6 |
| Catalog Number | AG01AJQ7(AGN-PC-0WO45Q) |
| Chemical Name | 6-(1H-Pyrazol-1-yl)pyridine-2-carboxylic acid |
| IUPAC Name | 6-pyrazol-1-ylpyridine-2-carboxylic acid |
| InChI | InChI=1S/C9H7N3O2/c13-9(14)7-3-1-4-8(11-7)12-6-2-5-10-12/h1-6H,(H,13,14) |
| InChI Key | ORABOAXARFWDQN-UHFFFAOYSA-N |
| MDL Number | MFCD16697745 |
| Molecular Formula | C9H7N3O2 |
| Molecular Weight | 189.1708 |
| SMILES | OC(C1=NC(N2N=CC=C2)=CC=C1)=O |
| Synonyms | 6-(1H-pyrazol-1-yl)pyridine-2-carboxylic acid,
852227-98-6,
SCHEMBL18167972,
ZINC51041471,
AKOS011536416,
MCULE-1210885961,
NE16063,
DB-090985,
EN300-81690,
Z1270400013,
6-Pyrazol-1-yl-pyridine-2-carboxylic acid,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.053826g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.17g/mol |
| Monoisotopic Mass | 189.053826g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number