2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one

C11H7BrClFN2O — CID 136954365

IUPAC2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(Br)c(Cl)c2)[nH]c(=O)c1F
InChIInChI=1S/C11H7BrClFN2O/c1-5-9(14)11(17)16-10(15-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H,15,16,17)
InChIKeyUIFSYBCSWLBWST-UHFFFAOYSA-N
MW317.55 g/mol
LogP3.30
Rot. Bonds1

About 2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one

2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136954365) has the molecular formula C11H7BrClFN2O and a molecular weight of 317.55 g/mol. Its IUPAC name is 2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136954365
Molecular FormulaC11H7BrClFN2O
Molecular Weight317.55 g/mol
Exact Mass315.94
IUPAC Name2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(Br)c(Cl)c2)[nH]c(=O)c1F
InChIInChI=1S/C11H7BrClFN2O/c1-5-9(14)11(17)16-10(15-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H,15,16,17)
InChIKeyUIFSYBCSWLBWST-UHFFFAOYSA-N
XLogP3.30
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-3-chlorophenyl)-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-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136954365) is 2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(Br)c(Cl)c2)[nH]c(=O)c1F.
What is the InChIKey of 2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is UIFSYBCSWLBWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O/c1-5-9(14)11(17)16-10(15-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H,15,16,17).
What are the key properties of 2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 317.55 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136954365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).