5-bromo-1,3,6-trimethylpyridin-2-one

C8H10BrNO — CID 119098885

IUPAC5-bromo-1,3,6-trimethylpyridin-2-one
SMILESCc1cc(Br)c(C)n(C)c1=O
InChIInChI=1S/C8H10BrNO/c1-5-4-7(9)6(2)10(3)8(5)11/h4H,1-3H3
InChIKeyYIXLREAFYQOAAX-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.76
Rot. Bonds

About 5-bromo-1,3,6-trimethylpyridin-2-one

5-bromo-1,3,6-trimethylpyridin-2-one (PubChem CID 119098885) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 5-bromo-1,3,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-1,3,6-trimethylpyridin-2-one
PubChem CID119098885
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name5-bromo-1,3,6-trimethylpyridin-2-one
SMILESCc1cc(Br)c(C)n(C)c1=O
InChIInChI=1S/C8H10BrNO/c1-5-4-7(9)6(2)10(3)8(5)11/h4H,1-3H3
InChIKeyYIXLREAFYQOAAX-UHFFFAOYSA-N
XLogP1.76
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-1,3,6-trimethylpyridin-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-1,3,6-trimethylpyridin-2-one?
The IUPAC name of 5-bromo-1,3,6-trimethylpyridin-2-one (CID 119098885) is 5-bromo-1,3,6-trimethylpyridin-2-one.
What is the SMILES notation for 5-bromo-1,3,6-trimethylpyridin-2-one?
The canonical SMILES for 5-bromo-1,3,6-trimethylpyridin-2-one is Cc1cc(Br)c(C)n(C)c1=O.
What is the InChIKey of 5-bromo-1,3,6-trimethylpyridin-2-one?
The InChIKey is YIXLREAFYQOAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-5-4-7(9)6(2)10(3)8(5)11/h4H,1-3H3.
What are the key properties of 5-bromo-1,3,6-trimethylpyridin-2-one?
5-bromo-1,3,6-trimethylpyridin-2-one has a molecular weight of 216.08 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3,6-trimethylpyridin-2-one is sourced from PubChem (CID 119098885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).