2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetic acid

C12H9FN2O3 — CID 10538481

IUPAC2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccc(F)cc2)nccc1=O
InChIInChI=1S/C12H9FN2O3/c13-9-3-1-8(2-4-9)12-14-6-5-10(16)15(12)7-11(17)18/h1-6H,7H2,(H,17,18)
InChIKeyWQLVPGOJKYLKOS-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.13
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetic acid

2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetic acid (PubChem CID 10538481) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetic acid
PubChem CID10538481
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccc(F)cc2)nccc1=O
InChIInChI=1S/C12H9FN2O3/c13-9-3-1-8(2-4-9)12-14-6-5-10(16)15(12)7-11(17)18/h1-6H,7H2,(H,17,18)
InChIKeyWQLVPGOJKYLKOS-UHFFFAOYSA-N
XLogP1.13
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-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-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetic acid (CID 10538481) is 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetic acid is O=C(O)Cn1c(-c2ccc(F)cc2)nccc1=O.
What is the InChIKey of 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetic acid?
The InChIKey is WQLVPGOJKYLKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-9-3-1-8(2-4-9)12-14-6-5-10(16)15(12)7-11(17)18/h1-6H,7H2,(H,17,18).
What are the key properties of 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetic acid?
2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetic acid has a molecular weight of 248.21 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetic acid is sourced from PubChem (CID 10538481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).