5-ethyl-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid

C14H12FNO3 — CID 71281909

IUPAC5-ethyl-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C14H12FNO3/c1-2-8-7-11(14(18)19)13(17)16-12(8)9-3-5-10(15)6-4-9/h3-7H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyYDSWAZLNJUVDCA-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.44
Rot. Bonds3

About 5-ethyl-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71281909) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 5-ethyl-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71281909
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name5-ethyl-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C14H12FNO3/c1-2-8-7-11(14(18)19)13(17)16-12(8)9-3-5-10(15)6-4-9/h3-7H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyYDSWAZLNJUVDCA-UHFFFAOYSA-N
XLogP2.44
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 71281909) is 5-ethyl-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is YDSWAZLNJUVDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-2-8-7-11(14(18)19)13(17)16-12(8)9-3-5-10(15)6-4-9/h3-7H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-ethyl-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 261.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).