ethyl 6-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate

C16H16FNO4 — CID 141245405

IUPACethyl 6-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(OCC)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H16FNO4/c1-3-21-14-10-9-13(16(20)22-4-2)15(19)18(14)12-7-5-11(17)6-8-12/h5-10H,3-4H2,1-2H3
InChIKeyAFWDXCKTMONWDT-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.55
Rot. Bonds5

About ethyl 6-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate

ethyl 6-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate (PubChem CID 141245405) has the molecular formula C16H16FNO4 and a molecular weight of 305.31 g/mol. Its IUPAC name is ethyl 6-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate
PubChem CID141245405
Molecular FormulaC16H16FNO4
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC Nameethyl 6-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(OCC)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H16FNO4/c1-3-21-14-10-9-13(16(20)22-4-2)15(19)18(14)12-7-5-11(17)6-8-12/h5-10H,3-4H2,1-2H3
InChIKeyAFWDXCKTMONWDT-UHFFFAOYSA-N
XLogP2.55
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Fluorophenyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 612407
Methyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenyl-1,2-dihydro-3-pyridinecarboxylate
CID 54686065
Methyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,2-dihydro-3-pyridinecarboxylate
CID 54708955
4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide
CID 54709973
methyl 2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylate
CID 24133424
1-(4-Fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 21081529
N-(4-Fluorophenyl)-2-oxo-2H-pyran-5-carboxamide
CID 565189
1-(2-Fluorophenyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 612505
Ethyl 1-(4-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
CID 11652198
Ethyl 2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydro-3-quinolinecarboxylate
CID 743628
1-(3-Fluorophenyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 704891
Ethyl 5-[(2-fluorophenyl)carbamoyl]-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 46246069

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 6-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate (CID 141245405) is ethyl 6-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate is CCOC(=O)c1ccc(OCC)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of ethyl 6-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate?
The InChIKey is AFWDXCKTMONWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4/c1-3-21-14-10-9-13(16(20)22-4-2)15(19)18(14)12-7-5-11(17)6-8-12/h5-10H,3-4H2,1-2H3.
What are the key properties of ethyl 6-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate?
ethyl 6-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate has a molecular weight of 305.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 141245405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).