| CAS Number | 1221423-61-5 |
| Catalog Number | AG019YN2 |
| Chemical Name | 1-(4-Fluorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H8FNO3/c13-9-2-4-10(5-3-9)14-7-8(12(16)17)1-6-11(14)15/h1-7H,(H,16,17) |
| InChI Key | WYHVPAFGLHOYDD-UHFFFAOYSA-N |
| MDL Number | MFCD16519155 |
| Molecular Formula | C12H8FNO3 |
| Molecular Weight | 233.1952 |
| SMILES | OC(C1=CN(C2=CC=C(F)C=C2)C(=O)C=C1)=O |
| Synonyms | 1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid,
1221423-61-5,
SCHEMBL2459006,
WYHVPAFGLHOYDD-UHFFFAOYSA-N,
ZINC43671764,
AKOS010996042,
MCULE-4307207203,
NE45417,
Z1359429550,
|
| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.198g/mol |
| Monoisotopic Mass | 233.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number