| CAS Number | 31695-73-5 |
| Catalog Number | AG00JIPL(AGN-PC-0WCNK3) |
| Chemical Name | 6-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H8FNO3/c13-8-3-1-7(2-4-8)10-6-5-9(12(16)17)11(15)14-10/h1-6H,(H,14,15)(H,16,17) |
| InChI Key | UQFLNDWNBJVOJJ-UHFFFAOYSA-N |
| MDL Number | MFCD16437668 |
| Molecular Formula | C12H8FNO3 |
| Molecular Weight | 233.1952 |
| SMILES | FC1=CC=C(C=C1)C2NC(=O)C(C(O)=O)=CC=2 |
| Synonyms | 6-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid,
31695-73-5,
SCHEMBL361765,
STL434895,
ZINC38478116,
AKOS010924279,
AKOS022347971,
MCULE-9476356982,
6-(4-fluorophenyl)-2-hydroxypyridine-3-carboxylic acid,
F2130-0165,
6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid,
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.048821g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.19g/mol |
| Monoisotopic Mass | 233.048821g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number