4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one

C8H8BrF3N2O2 — CID 134466829

IUPAC4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1c(Br)cc(C(F)(F)F)n(OC)c1=O
InChIInChI=1S/C8H8BrF3N2O2/c1-13-6-4(9)3-5(8(10,11)12)14(16-2)7(6)15/h3,13H,1-2H3
InChIKeyBMDKTYOZVFMJCA-UHFFFAOYSA-N
MW301.06 g/mol
LogP1.73
Rot. Bonds2

About 4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one

4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 134466829) has the molecular formula C8H8BrF3N2O2 and a molecular weight of 301.06 g/mol. Its IUPAC name is 4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
PubChem CID134466829
Molecular FormulaC8H8BrF3N2O2
Molecular Weight301.06 g/mol
Exact Mass299.97
IUPAC Name4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1c(Br)cc(C(F)(F)F)n(OC)c1=O
InChIInChI=1S/C8H8BrF3N2O2/c1-13-6-4(9)3-5(8(10,11)12)14(16-2)7(6)15/h3,13H,1-2H3
InChIKeyBMDKTYOZVFMJCA-UHFFFAOYSA-N
XLogP1.73
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.06
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-1-methoxy-3-(methylamino)-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 4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one (CID 134466829) is 4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one is CNc1c(Br)cc(C(F)(F)F)n(OC)c1=O.
What is the InChIKey of 4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is BMDKTYOZVFMJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2O2/c1-13-6-4(9)3-5(8(10,11)12)14(16-2)7(6)15/h3,13H,1-2H3.
What are the key properties of 4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 301.06 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 134466829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).