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

C15H12BrF4NO2 — CID 172695512

IUPAC4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCc1cc(F)cc(C)c1Oc1c(Br)ccn(CC(F)(F)F)c1=O
InChIInChI=1S/C15H12BrF4NO2/c1-8-5-10(17)6-9(2)12(8)23-13-11(16)3-4-21(14(13)22)7-15(18,19)20/h3-6H,7H2,1-2H3
InChIKeyCGOZCRFHJRPBIZ-UHFFFAOYSA-N
MW394.16 g/mol
LogP4.72
Rot. Bonds3

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

4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 172695512) has the molecular formula C15H12BrF4NO2 and a molecular weight of 394.16 g/mol. Its IUPAC name is 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID172695512
Molecular FormulaC15H12BrF4NO2
Molecular Weight394.16 g/mol
Exact Mass393.00
IUPAC Name4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCc1cc(F)cc(C)c1Oc1c(Br)ccn(CC(F)(F)F)c1=O
InChIInChI=1S/C15H12BrF4NO2/c1-8-5-10(17)6-9(2)12(8)23-13-11(16)3-4-21(14(13)22)7-15(18,19)20/h3-6H,7H2,1-2H3
InChIKeyCGOZCRFHJRPBIZ-UHFFFAOYSA-N
XLogP4.72
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.16
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(2,2,2-trifluoroethyl)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)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 172695512) is 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(2,2,2-trifluoroethyl)pyridin-2-one is Cc1cc(F)cc(C)c1Oc1c(Br)ccn(CC(F)(F)F)c1=O.
What is the InChIKey of 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is CGOZCRFHJRPBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF4NO2/c1-8-5-10(17)6-9(2)12(8)23-13-11(16)3-4-21(14(13)22)7-15(18,19)20/h3-6H,7H2,1-2H3.
What are the key properties of 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 394.16 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 172695512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).