1-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

C20H16FNO4 — CID 134151658

IUPAC1-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CCc2ccc(-c3ccc(F)cc3)cc2)cc(O)c1=O
InChIInChI=1S/C20H16FNO4/c21-16-7-5-15(6-8-16)14-3-1-13(2-4-14)9-10-22-11-17(20(25)26)19(24)18(23)12-22/h1-8,11-12,23H,9-10H2,(H,25,26)
InChIKeyNUIWFZYKXLKTNQ-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.30
Rot. Bonds5

About 1-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid

1-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (PubChem CID 134151658) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
PubChem CID134151658
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name1-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CCc2ccc(-c3ccc(F)cc3)cc2)cc(O)c1=O
InChIInChI=1S/C20H16FNO4/c21-16-7-5-15(6-8-16)14-3-1-13(2-4-14)9-10-22-11-17(20(25)26)19(24)18(23)12-22/h1-8,11-12,23H,9-10H2,(H,25,26)
InChIKeyNUIWFZYKXLKTNQ-UHFFFAOYSA-N
XLogP3.30
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid (CID 134151658) is 1-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(CCc2ccc(-c3ccc(F)cc3)cc2)cc(O)c1=O.
What is the InChIKey of 1-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
The InChIKey is NUIWFZYKXLKTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4/c21-16-7-5-15(6-8-16)14-3-1-13(2-4-14)9-10-22-11-17(20(25)26)19(24)18(23)12-22/h1-8,11-12,23H,9-10H2,(H,25,26).
What are the key properties of 1-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid?
1-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid has a molecular weight of 353.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-fluorophenyl)phenyl]ethyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 134151658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).