1-(2-bromoethyl)-3-methylpyridin-2-one

C8H10BrNO — CID 63172412

IUPAC1-(2-bromoethyl)-3-methylpyridin-2-one
SMILESCc1cccn(CCBr)c1=O
InChIInChI=1S/C8H10BrNO/c1-7-3-2-5-10(6-4-9)8(7)11/h2-3,5H,4,6H2,1H3
InChIKeyRIINOWIMYVEOND-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.55
Rot. Bonds2

About 1-(2-bromoethyl)-3-methylpyridin-2-one

1-(2-bromoethyl)-3-methylpyridin-2-one (PubChem CID 63172412) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 1-(2-bromoethyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2-bromoethyl)-3-methylpyridin-2-one
PubChem CID63172412
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name1-(2-bromoethyl)-3-methylpyridin-2-one
SMILESCc1cccn(CCBr)c1=O
InChIInChI=1S/C8H10BrNO/c1-7-3-2-5-10(6-4-9)8(7)11/h2-3,5H,4,6H2,1H3
InChIKeyRIINOWIMYVEOND-UHFFFAOYSA-N
XLogP1.55
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(2-bromoethyl)-3-methylpyridin-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 1-(2-bromoethyl)-3-methylpyridin-2-one?
The IUPAC name of 1-(2-bromoethyl)-3-methylpyridin-2-one (CID 63172412) is 1-(2-bromoethyl)-3-methylpyridin-2-one.
What is the SMILES notation for 1-(2-bromoethyl)-3-methylpyridin-2-one?
The canonical SMILES for 1-(2-bromoethyl)-3-methylpyridin-2-one is Cc1cccn(CCBr)c1=O.
What is the InChIKey of 1-(2-bromoethyl)-3-methylpyridin-2-one?
The InChIKey is RIINOWIMYVEOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-7-3-2-5-10(6-4-9)8(7)11/h2-3,5H,4,6H2,1H3.
What are the key properties of 1-(2-bromoethyl)-3-methylpyridin-2-one?
1-(2-bromoethyl)-3-methylpyridin-2-one has a molecular weight of 216.08 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-3-methylpyridin-2-one is sourced from PubChem (CID 63172412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).