| CAS Number | 1000340-08-8 |
| Catalog Number | AG00H94K(AGN-PC-0WBOF0) |
| Chemical Name | ethyl 5-fluoro-4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate |
| IUPAC Name | ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate |
| InChI | InChI=1S/C8H8FNO4/c1-2-14-8(13)4-3-10-7(12)5(9)6(4)11/h3H,2H2,1H3,(H2,10,11,12) |
| InChI Key | KRPFLIYEGCRSFO-UHFFFAOYSA-N |
| MDL Number | MFCD09910417 |
| Molecular Formula | C8H8FNO4 |
| Molecular Weight | 201.1518 |
| SMILES | CCOC(C1C(O)=C(F)C(=O)NC=1)=O |
| Synonyms | 1000340-08-8,
ETHYL 5-FLUORO-4-HYDROXY-6-OXO-1,6-DIHYDROPYRIDINE-3-CARBOXYLATE,
CTK6F5680,
6714AH,
AR2753,
MFCD09910417,
ZINC35287430,
AKOS025312820,
AS-45433,
F2167-2770,
C8H8FNO4,
ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.153g/mol |
| Monoisotopic Mass | 201.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number