2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid

C13H10FNO3 — CID 131870465

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid
SMILESO=C(O)Cc1cc(=O)[nH]cc1-c1ccc(F)cc1
InChIInChI=1S/C13H10FNO3/c14-10-3-1-8(2-4-10)11-7-15-12(16)5-9(11)6-13(17)18/h1-5,7H,6H2,(H,15,16)(H,17,18)
InChIKeyALDBHSABZRCWGE-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.81
Rot. Bonds3

About 2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid

2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid (PubChem CID 131870465) has the molecular formula C13H10FNO3 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid
PubChem CID131870465
Molecular FormulaC13H10FNO3
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid
SMILESO=C(O)Cc1cc(=O)[nH]cc1-c1ccc(F)cc1
InChIInChI=1S/C13H10FNO3/c14-10-3-1-8(2-4-10)11-7-15-12(16)5-9(11)6-13(17)18/h1-5,7H,6H2,(H,15,16)(H,17,18)
InChIKeyALDBHSABZRCWGE-UHFFFAOYSA-N
XLogP1.81
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 133092837
2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 11630778
2-[4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetic acid
CID 118823198
2-oxo-5-phenyl-1H-pyridine-4-carboxylic acid
CID 46314981
2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869699
2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131870429
2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid
CID 176548294
5-(3-carboxy-5-fluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53223813
2-[6-chloro-3-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869785
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid
CID 82392813
2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid
CID 21447390
5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid
CID 53222732

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid (CID 131870465) is 2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid is O=C(O)Cc1cc(=O)[nH]cc1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid?
The InChIKey is ALDBHSABZRCWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-10-3-1-8(2-4-10)11-7-15-12(16)5-9(11)6-13(17)18/h1-5,7H,6H2,(H,15,16)(H,17,18).
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid?
2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid has a molecular weight of 247.22 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid is sourced from PubChem (CID 131870465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).