| CAS Number | 1152523-86-8 |
| Catalog Number | AG01AJL1(AGN-PC-0WCN41) |
| Chemical Name | 4-(1H-pyrazol-1-yl)pyridine-2-carboxylic acid |
| IUPAC Name | 4-pyrazol-1-ylpyridine-2-carboxylic acid |
| InChI | InChI=1S/C9H7N3O2/c13-9(14)8-6-7(2-4-10-8)12-5-1-3-11-12/h1-6H,(H,13,14) |
| InChI Key | RSHLQDXUKBUQRK-UHFFFAOYSA-N |
| MDL Number | MFCD11181367 |
| Molecular Formula | C9H7N3O2 |
| Molecular Weight | 189.1708 |
| SMILES | OC(C1=NC=CC(N2N=CC=C2)=C1)=O |
| Synonyms | 4-(1H-pyrazol-1-yl)pyridine-2-carboxylic acid,
1152523-86-8,
ZINC36896252,
AKOS008122250,
MCULE-6004266195,
4-(pyrazol-1-yl)pyridine-2-carboxylic acid,
EN300-80995,
L-3612,
F1957-0078,
Z1270403521,
|
| 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