5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

C13H10FNO3 — CID 53222871

IUPAC5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(-c2c[nH]c(=O)c(C(=O)O)c2)ccc1F
InChIInChI=1S/C13H10FNO3/c1-7-4-8(2-3-11(7)14)9-5-10(13(17)18)12(16)15-6-9/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyILLBYRLBYPDQMC-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.19
Rot. Bonds2

About 5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 53222871) has the molecular formula C13H10FNO3 and a molecular weight of 247.22 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID53222871
Molecular FormulaC13H10FNO3
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Name5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(-c2c[nH]c(=O)c(C(=O)O)c2)ccc1F
InChIInChI=1S/C13H10FNO3/c1-7-4-8(2-3-11(7)14)9-5-10(13(17)18)12(16)15-6-9/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyILLBYRLBYPDQMC-UHFFFAOYSA-N
XLogP2.19
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-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 5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 53222871) is 5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is Cc1cc(-c2c[nH]c(=O)c(C(=O)O)c2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ILLBYRLBYPDQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-7-4-8(2-3-11(7)14)9-5-10(13(17)18)12(16)15-6-9/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 247.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 53222871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).