ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate

C14H12FNO3 — CID 66490237

IUPACethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C14H12FNO3/c1-2-19-14(18)11-7-8-12(16-13(11)17)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3,(H,16,17)
InChIKeyAJUSRVXWEPOSHT-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.36
Rot. Bonds3

About ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate

ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 66490237) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
PubChem CID66490237
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Nameethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C14H12FNO3/c1-2-19-14(18)11-7-8-12(16-13(11)17)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3,(H,16,17)
InChIKeyAJUSRVXWEPOSHT-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

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Related Compounds

methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66489830
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254
ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
CID 125477835
ethyl 5-[4-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 135021728
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate
CID 162422252
ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 135741598
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate
CID 66771917
6-(4-fluorophenyl)-N-(2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491162
ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate
CID 164666178
6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 20551280

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate (CID 66490237) is ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is AJUSRVXWEPOSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-2-19-14(18)11-7-8-12(16-13(11)17)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate?
ethyl 6-(4-fluorophenyl)-2-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 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 66490237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).