[2-(4-fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C16H14FNO4 — CID 3526515

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO4/c1-2-21-15-13(4-3-9-18-15)16(20)22-10-14(19)11-5-7-12(17)8-6-11/h3-9H,2,10H2,1H3
InChIKeyJKWGHKVNZIJKJV-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.66
Rot. Bonds6

About [2-(4-fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-(4-fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 3526515) has the molecular formula C16H14FNO4 and a molecular weight of 303.29 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID3526515
Molecular FormulaC16H14FNO4
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO4/c1-2-21-15-13(4-3-9-18-15)16(20)22-10-14(19)11-5-7-12(17)8-6-11/h3-9H,2,10H2,1H3
InChIKeyJKWGHKVNZIJKJV-UHFFFAOYSA-N
XLogP2.66
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-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 [2-(4-fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 3526515) is [2-(4-fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is JKWGHKVNZIJKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4/c1-2-21-15-13(4-3-9-18-15)16(20)22-10-14(19)11-5-7-12(17)8-6-11/h3-9H,2,10H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 303.29 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 3526515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).