4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one

C13H11BrFNO2 — CID 155247765

IUPAC4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one
SMILESCc1cc(F)cc(C)c1Oc1c(Br)cc[nH]c1=O
InChIInChI=1S/C13H11BrFNO2/c1-7-5-9(15)6-8(2)11(7)18-12-10(14)3-4-16-13(12)17/h3-6H,1-2H3,(H,16,17)
InChIKeyWWYMOAYCZMRNAU-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.69
Rot. Bonds2

About 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one

4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one (PubChem CID 155247765) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one
PubChem CID155247765
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one
SMILESCc1cc(F)cc(C)c1Oc1c(Br)cc[nH]c1=O
InChIInChI=1S/C13H11BrFNO2/c1-7-5-9(15)6-8(2)11(7)18-12-10(14)3-4-16-13(12)17/h3-6H,1-2H3,(H,16,17)
InChIKeyWWYMOAYCZMRNAU-UHFFFAOYSA-N
XLogP3.69
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-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 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one?
The IUPAC name of 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one (CID 155247765) is 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one is Cc1cc(F)cc(C)c1Oc1c(Br)cc[nH]c1=O.
What is the InChIKey of 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one?
The InChIKey is WWYMOAYCZMRNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c1-7-5-9(15)6-8(2)11(7)18-12-10(14)3-4-16-13(12)17/h3-6H,1-2H3,(H,16,17).
What are the key properties of 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one?
4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one has a molecular weight of 312.14 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one is sourced from PubChem (CID 155247765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).