5-bromo-3-ethoxy-1-ethylpyridin-2-one

C9H12BrNO2 — CID 155595601

IUPAC5-bromo-3-ethoxy-1-ethylpyridin-2-one
SMILESCCOc1cc(Br)cn(CC)c1=O
InChIInChI=1S/C9H12BrNO2/c1-3-11-6-7(10)5-8(9(11)12)13-4-2/h5-6H,3-4H2,1-2H3
InChIKeyQZMUBQYVIXUMPS-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.03
Rot. Bonds3

About 5-bromo-3-ethoxy-1-ethylpyridin-2-one

5-bromo-3-ethoxy-1-ethylpyridin-2-one (PubChem CID 155595601) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 5-bromo-3-ethoxy-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-ethoxy-1-ethylpyridin-2-one
PubChem CID155595601
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name5-bromo-3-ethoxy-1-ethylpyridin-2-one
SMILESCCOc1cc(Br)cn(CC)c1=O
InChIInChI=1S/C9H12BrNO2/c1-3-11-6-7(10)5-8(9(11)12)13-4-2/h5-6H,3-4H2,1-2H3
InChIKeyQZMUBQYVIXUMPS-UHFFFAOYSA-N
XLogP2.03
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-ethoxy-1-ethylpyridin-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-3-ethoxy-1-ethylpyridin-2-one?
The IUPAC name of 5-bromo-3-ethoxy-1-ethylpyridin-2-one (CID 155595601) is 5-bromo-3-ethoxy-1-ethylpyridin-2-one.
What is the SMILES notation for 5-bromo-3-ethoxy-1-ethylpyridin-2-one?
The canonical SMILES for 5-bromo-3-ethoxy-1-ethylpyridin-2-one is CCOc1cc(Br)cn(CC)c1=O.
What is the InChIKey of 5-bromo-3-ethoxy-1-ethylpyridin-2-one?
The InChIKey is QZMUBQYVIXUMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-3-11-6-7(10)5-8(9(11)12)13-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-bromo-3-ethoxy-1-ethylpyridin-2-one?
5-bromo-3-ethoxy-1-ethylpyridin-2-one has a molecular weight of 246.10 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethoxy-1-ethylpyridin-2-one is sourced from PubChem (CID 155595601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).