2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one

C11H7ClF2N2O — CID 136987470

IUPAC2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cccc(Cl)c2F)[nH]c(=O)c1F
InChIInChI=1S/C11H7ClF2N2O/c1-5-8(13)11(17)16-10(15-5)6-3-2-4-7(12)9(6)14/h2-4H,1H3,(H,15,16,17)
InChIKeyQBALTFVZHHWMPD-UHFFFAOYSA-N
MW256.64 g/mol
LogP2.68
Rot. Bonds1

About 2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one

2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136987470) has the molecular formula C11H7ClF2N2O and a molecular weight of 256.64 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136987470
Molecular FormulaC11H7ClF2N2O
Molecular Weight256.64 g/mol
Exact Mass256.02
IUPAC Name2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cccc(Cl)c2F)[nH]c(=O)c1F
InChIInChI=1S/C11H7ClF2N2O/c1-5-8(13)11(17)16-10(15-5)6-3-2-4-7(12)9(6)14/h2-4H,1H3,(H,15,16,17)
InChIKeyQBALTFVZHHWMPD-UHFFFAOYSA-N
XLogP2.68
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one 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-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136987470) is 2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is Cc1nc(-c2cccc(Cl)c2F)[nH]c(=O)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QBALTFVZHHWMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O/c1-5-8(13)11(17)16-10(15-5)6-3-2-4-7(12)9(6)14/h2-4H,1H3,(H,15,16,17).
What are the key properties of 2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 256.64 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136987470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).