5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one

C8H7BrF3NO2 — CID 118022724

IUPAC5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one
SMILESCn1cc(Br)cc(OCC(F)(F)F)c1=O
InChIInChI=1S/C8H7BrF3NO2/c1-13-3-5(9)2-6(7(13)14)15-4-8(10,11)12/h2-3H,4H2,1H3
InChIKeyKLSBUVCWWBMZGV-UHFFFAOYSA-N
MW286.05 g/mol
LogP2.09
Rot. Bonds2

About 5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one

5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one (PubChem CID 118022724) has the molecular formula C8H7BrF3NO2 and a molecular weight of 286.05 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one
PubChem CID118022724
Molecular FormulaC8H7BrF3NO2
Molecular Weight286.05 g/mol
Exact Mass284.96
IUPAC Name5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one
SMILESCn1cc(Br)cc(OCC(F)(F)F)c1=O
InChIInChI=1S/C8H7BrF3NO2/c1-13-3-5(9)2-6(7(13)14)15-4-8(10,11)12/h2-3H,4H2,1H3
InChIKeyKLSBUVCWWBMZGV-UHFFFAOYSA-N
XLogP2.09
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)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 5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one?
The IUPAC name of 5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one (CID 118022724) is 5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one?
The canonical SMILES for 5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one is Cn1cc(Br)cc(OCC(F)(F)F)c1=O.
What is the InChIKey of 5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one?
The InChIKey is KLSBUVCWWBMZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2/c1-13-3-5(9)2-6(7(13)14)15-4-8(10,11)12/h2-3H,4H2,1H3.
What are the key properties of 5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one?
5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one has a molecular weight of 286.05 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one is sourced from PubChem (CID 118022724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).