2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid

C12H9FN2O3 — CID 46948710

IUPAC2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(-c2cccc(F)c2)[nH]c1=O
InChIInChI=1S/C12H9FN2O3/c13-9-3-1-2-7(4-9)11-14-6-8(5-10(16)17)12(18)15-11/h1-4,6H,5H2,(H,16,17)(H,14,15,18)
InChIKeyWJWQUGVMBMNRQU-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.20
Rot. Bonds3

About 2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid

2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid (PubChem CID 46948710) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
PubChem CID46948710
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(-c2cccc(F)c2)[nH]c1=O
InChIInChI=1S/C12H9FN2O3/c13-9-3-1-2-7(4-9)11-14-6-8(5-10(16)17)12(18)15-11/h1-4,6H,5H2,(H,16,17)(H,14,15,18)
InChIKeyWJWQUGVMBMNRQU-UHFFFAOYSA-N
XLogP1.20
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid (CID 46948710) is 2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid is O=C(O)Cc1cnc(-c2cccc(F)c2)[nH]c1=O.
What is the InChIKey of 2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is WJWQUGVMBMNRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-9-3-1-2-7(4-9)11-14-6-8(5-10(16)17)12(18)15-11/h1-4,6H,5H2,(H,16,17)(H,14,15,18).
What are the key properties of 2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid?
2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 248.21 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 46948710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).