1-[1-(4-fluorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

C14H12FNO4 — CID 127051875

IUPAC1-[1-(4-fluorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESCC(c1ccc(F)cc1)n1cc(O)c(=O)c(C(=O)O)c1
InChIInChI=1S/C14H12FNO4/c1-8(9-2-4-10(15)5-3-9)16-6-11(14(19)20)13(18)12(17)7-16/h2-8,17H,1H3,(H,19,20)
InChIKeyIKKZFXMQCAWYRU-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.00
Rot. Bonds3

About 1-[1-(4-fluorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

1-[1-(4-fluorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (PubChem CID 127051875) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
PubChem CID127051875
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESCC(c1ccc(F)cc1)n1cc(O)c(=O)c(C(=O)O)c1
InChIInChI=1S/C14H12FNO4/c1-8(9-2-4-10(15)5-3-9)16-6-11(14(19)20)13(18)12(17)7-16/h2-8,17H,1H3,(H,19,20)
InChIKeyIKKZFXMQCAWYRU-UHFFFAOYSA-N
XLogP2.00
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-fluorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid 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 1-[1-(4-fluorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (CID 127051875) is 1-[1-(4-fluorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is CC(c1ccc(F)cc1)n1cc(O)c(=O)c(C(=O)O)c1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The InChIKey is IKKZFXMQCAWYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-8(9-2-4-10(15)5-3-9)16-6-11(14(19)20)13(18)12(17)7-16/h2-8,17H,1H3,(H,19,20).
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
1-[1-(4-fluorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid has a molecular weight of 277.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 127051875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).