1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid

C12H8FNO3 — CID 58443246

IUPAC1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C12H8FNO3/c13-9-2-4-10(5-3-9)14-7-8(12(16)17)1-6-11(14)15/h1-7H,(H,16,17)
InChIKeyWYHVPAFGLHOYDD-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.67
Rot. Bonds2

About 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid

1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid (PubChem CID 58443246) has the molecular formula C12H8FNO3 and a molecular weight of 233.20 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid
PubChem CID58443246
Molecular FormulaC12H8FNO3
Molecular Weight233.20 g/mol
Exact Mass233.05
IUPAC Name1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C12H8FNO3/c13-9-2-4-10(5-3-9)14-7-8(12(16)17)1-6-11(14)15/h1-7H,(H,16,17)
InChIKeyWYHVPAFGLHOYDD-UHFFFAOYSA-N
XLogP1.67
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid (CID 58443246) is 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is WYHVPAFGLHOYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3/c13-9-2-4-10(5-3-9)14-7-8(12(16)17)1-6-11(14)15/h1-7H,(H,16,17).
What are the key properties of 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid?
1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 233.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58443246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).