| CAS Number | 911462-25-4 |
| Catalog Number | AG00JW2Y(AGN-PC-0WOCPX) |
| Chemical Name | 5-(Pyridin-4-yl)-1h-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-pyridin-4-yl-1H-pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C9H7N3O2/c13-9(14)7-5-11-12-8(7)6-1-3-10-4-2-6/h1-5H,(H,11,12)(H,13,14) |
| InChI Key | WIBGOIFXFBESPB-UHFFFAOYSA-N |
| MDL Number | MFCD19706882 |
| Molecular Formula | C9H7N3O2 |
| Molecular Weight | 189.1708 |
| SMILES | O=C(C1=C(C2=CC=NC=C2)NN=C1)O |
| Synonyms | 3-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid,
911462-25-4,
5-(Pyridin-4-yl)-1H-pyrazole-4-carboxylic acid,
AC1Q741A,
CTK7I6394,
KS-00001OK9,
MFCD19706882,
ZINC20439765,
AKOS009247906,
MCULE-9468164157,
NE32258,
EN300-44200,
AB00997130-01,
F8881-5718,
Z451350540,
5-(4-PYRIDINYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID,
|
| Complexity | 216 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.174g/mol |
| Monoisotopic Mass | 189.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number