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

C14H12FNO3 — CID 66771917

IUPACethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]cc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C14H12FNO3/c1-2-19-14(18)12-8-16-7-11(13(12)17)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3,(H,16,17)
InChIKeyLOQHSVKKFHMVAL-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.36
Rot. Bonds3

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

ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate (PubChem CID 66771917) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate
PubChem CID66771917
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Nameethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]cc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C14H12FNO3/c1-2-19-14(18)12-8-16-7-11(13(12)17)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3,(H,16,17)
InChIKeyLOQHSVKKFHMVAL-UHFFFAOYSA-N
XLogP2.36
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 5-(4-fluorophenyl)-4-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

Related Compounds

ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 824655
ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 90717630
ethyl 5-(4-fluorophenyl)-1-methyl-4-oxopyridazine-3-carboxylate
CID 175918303
diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate
CID 142563798
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate
CID 14498216
ethyl 3-(4-fluorophenyl)furan-2-carboxylate
CID 169200046
ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
CID 125477835
3-ethoxycarbonyl-2-(4-fluorophenyl)benzoic acid
CID 169449758
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
CID 53404665

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate (CID 66771917) is ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c[nH]cc(-c2ccc(F)cc2)c1=O.
What is the InChIKey of ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate?
The InChIKey is LOQHSVKKFHMVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-2-19-14(18)12-8-16-7-11(13(12)17)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate?
ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate has a molecular weight of 261.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 66771917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).