1-(2-bromoethyl)pyridin-2-one

C7H8BrNO — CID 24689002

IUPAC1-(2-bromoethyl)pyridin-2-one
SMILESO=c1ccccn1CCBr
InChIInChI=1S/C7H8BrNO/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,4,6H2
InChIKeyNATIFIFIDLQXIT-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.24
Rot. Bonds2

About 1-(2-bromoethyl)pyridin-2-one

1-(2-bromoethyl)pyridin-2-one (PubChem CID 24689002) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 1-(2-bromoethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-bromoethyl)pyridin-2-one
PubChem CID24689002
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name1-(2-bromoethyl)pyridin-2-one
SMILESO=c1ccccn1CCBr
InChIInChI=1S/C7H8BrNO/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,4,6H2
InChIKeyNATIFIFIDLQXIT-UHFFFAOYSA-N
XLogP1.24
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.24
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)pyridin-2-one?
The IUPAC name of 1-(2-bromoethyl)pyridin-2-one (CID 24689002) is 1-(2-bromoethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-bromoethyl)pyridin-2-one?
The canonical SMILES for 1-(2-bromoethyl)pyridin-2-one is O=c1ccccn1CCBr.
What is the InChIKey of 1-(2-bromoethyl)pyridin-2-one?
The InChIKey is NATIFIFIDLQXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,4,6H2.
What are the key properties of 1-(2-bromoethyl)pyridin-2-one?
1-(2-bromoethyl)pyridin-2-one has a molecular weight of 202.05 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)pyridin-2-one is sourced from PubChem (CID 24689002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).