| CAS Number | 911463-81-5 |
| Catalog Number | AG01BCP5(AGN-PC-0WOUW9) |
| Chemical Name | 1-(pyridin-4-yl)-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-pyridin-4-ylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C9H7N3O2/c13-9(14)8-3-6-12(11-8)7-1-4-10-5-2-7/h1-6H,(H,13,14) |
| InChI Key | XWQIEMRCIPUTMI-UHFFFAOYSA-N |
| MDL Number | MFCD18260888 |
| Molecular Formula | C9H7N3O2 |
| Molecular Weight | 189.1708 |
| SMILES | C1=CN=CC=C1N2C=CC(=N2)C(=O)O |
| Synonyms | 1-(pyridin-4-yl)-1H-pyrazole-3-carboxylic acid,
911463-81-5,
SCHEMBL1816062,
XWQIEMRCIPUTMI-UHFFFAOYSA-N,
ZINC70707902,
AKOS013773704,
NE59468,
F8888-4734,
Z2510258152,
|
| 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 | 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