1-(2-bromoethyl)-6-methylpyridin-2-one

C8H10BrNO — CID 60876418

IUPAC1-(2-bromoethyl)-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCBr
InChIInChI=1S/C8H10BrNO/c1-7-3-2-4-8(11)10(7)6-5-9/h2-4H,5-6H2,1H3
InChIKeyZCVYUADYGQICKW-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.55
Rot. Bonds2

About 1-(2-bromoethyl)-6-methylpyridin-2-one

1-(2-bromoethyl)-6-methylpyridin-2-one (PubChem CID 60876418) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 1-(2-bromoethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2-bromoethyl)-6-methylpyridin-2-one
PubChem CID60876418
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name1-(2-bromoethyl)-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCBr
InChIInChI=1S/C8H10BrNO/c1-7-3-2-4-8(11)10(7)6-5-9/h2-4H,5-6H2,1H3
InChIKeyZCVYUADYGQICKW-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-6-methylpyridin-2-one?
The IUPAC name of 1-(2-bromoethyl)-6-methylpyridin-2-one (CID 60876418) is 1-(2-bromoethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 1-(2-bromoethyl)-6-methylpyridin-2-one?
The canonical SMILES for 1-(2-bromoethyl)-6-methylpyridin-2-one is Cc1cccc(=O)n1CCBr.
What is the InChIKey of 1-(2-bromoethyl)-6-methylpyridin-2-one?
The InChIKey is ZCVYUADYGQICKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-7-3-2-4-8(11)10(7)6-5-9/h2-4H,5-6H2,1H3.
What are the key properties of 1-(2-bromoethyl)-6-methylpyridin-2-one?
1-(2-bromoethyl)-6-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)-6-methylpyridin-2-one is sourced from PubChem (CID 60876418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).