1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid

C13H10FNO3 — CID 16896682

IUPAC1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C13H10FNO3/c14-10-4-1-3-9(7-10)8-15-6-2-5-11(12(15)16)13(17)18/h1-7H,8H2,(H,17,18)
InChIKeyYSFIOBPLMUNQEI-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.73
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid

1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 16896682) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
PubChem CID16896682
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C13H10FNO3/c14-10-4-1-3-9(7-10)8-15-6-2-5-11(12(15)16)13(17)18/h1-7H,8H2,(H,17,18)
InChIKeyYSFIOBPLMUNQEI-UHFFFAOYSA-N
XLogP1.73
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-fluorophenyl)methyl]-2-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-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid (CID 16896682) is 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is YSFIOBPLMUNQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-10-4-1-3-9(7-10)8-15-6-2-5-11(12(15)16)13(17)18/h1-7H,8H2,(H,17,18).
What are the key properties of 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid?
1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 247.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 16896682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).