ethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate

C16H16FNO4 — CID 123860072

IUPACethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OCC)c(-c2ccc(F)cc2)c[nH]c1=O
InChIInChI=1S/C16H16FNO4/c1-3-21-14-12(10-5-7-11(17)8-6-10)9-18-15(19)13(14)16(20)22-4-2/h5-9H,3-4H2,1-2H3,(H,18,19)
InChIKeyWOWYRDRRAGMLCL-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.76
Rot. Bonds5

About ethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate

ethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 123860072) has the molecular formula C16H16FNO4 and a molecular weight of 305.31 g/mol. Its IUPAC name is ethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
PubChem CID123860072
Molecular FormulaC16H16FNO4
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC Nameethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OCC)c(-c2ccc(F)cc2)c[nH]c1=O
InChIInChI=1S/C16H16FNO4/c1-3-21-14-12(10-5-7-11(17)8-6-10)9-18-15(19)13(14)16(20)22-4-2/h5-9H,3-4H2,1-2H3,(H,18,19)
InChIKeyWOWYRDRRAGMLCL-UHFFFAOYSA-N
XLogP2.76
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate (CID 123860072) is ethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(OCC)c(-c2ccc(F)cc2)c[nH]c1=O.
What is the InChIKey of ethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is WOWYRDRRAGMLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4/c1-3-21-14-12(10-5-7-11(17)8-6-10)9-18-15(19)13(14)16(20)22-4-2/h5-9H,3-4H2,1-2H3,(H,18,19).
What are the key properties of ethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
ethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 305.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 123860072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).