3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one

C14H10BrF4NO2 — CID 139797627

IUPAC3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCOc1cc(-c2ccc(C(F)(F)F)n(C)c2=O)c(F)cc1Br
InChIInChI=1S/C14H10BrF4NO2/c1-20-12(14(17,18)19)4-3-7(13(20)21)8-5-11(22-2)9(15)6-10(8)16/h3-6H,1-2H3
InChIKeyUWTIXHICQMLDOI-UHFFFAOYSA-N
MW380.14 g/mol
LogP3.98
Rot. Bonds2

About 3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one

3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 139797627) has the molecular formula C14H10BrF4NO2 and a molecular weight of 380.14 g/mol. Its IUPAC name is 3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID139797627
Molecular FormulaC14H10BrF4NO2
Molecular Weight380.14 g/mol
Exact Mass378.98
IUPAC Name3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCOc1cc(-c2ccc(C(F)(F)F)n(C)c2=O)c(F)cc1Br
InChIInChI=1S/C14H10BrF4NO2/c1-20-12(14(17,18)19)4-3-7(13(20)21)8-5-11(22-2)9(15)6-10(8)16/h3-6H,1-2H3
InChIKeyUWTIXHICQMLDOI-UHFFFAOYSA-N
XLogP3.98
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.14
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)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 3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one (CID 139797627) is 3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one is COc1cc(-c2ccc(C(F)(F)F)n(C)c2=O)c(F)cc1Br.
What is the InChIKey of 3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is UWTIXHICQMLDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4NO2/c1-20-12(14(17,18)19)4-3-7(13(20)21)8-5-11(22-2)9(15)6-10(8)16/h3-6H,1-2H3.
What are the key properties of 3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 380.14 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 139797627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).