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

C7H7Br2NO — CID 24689280

IUPAC5-bromo-1-(2-bromoethyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1CCBr
InChIInChI=1S/C7H7Br2NO/c8-3-4-10-5-6(9)1-2-7(10)11/h1-2,5H,3-4H2
InChIKeyMDFSFHJKQYPUGO-UHFFFAOYSA-N
MW280.95 g/mol
LogP2.01
Rot. Bonds2

About 5-bromo-1-(2-bromoethyl)pyridin-2-one

5-bromo-1-(2-bromoethyl)pyridin-2-one (PubChem CID 24689280) has the molecular formula C7H7Br2NO and a molecular weight of 280.95 g/mol. Its IUPAC name is 5-bromo-1-(2-bromoethyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(2-bromoethyl)pyridin-2-one
PubChem CID24689280
Molecular FormulaC7H7Br2NO
Molecular Weight280.95 g/mol
Exact Mass278.89
IUPAC Name5-bromo-1-(2-bromoethyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1CCBr
InChIInChI=1S/C7H7Br2NO/c8-3-4-10-5-6(9)1-2-7(10)11/h1-2,5H,3-4H2
InChIKeyMDFSFHJKQYPUGO-UHFFFAOYSA-N
XLogP2.01
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.95
LogP ≤ 52.01
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 5-bromo-1-(2-bromoethyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(2-bromoethyl)pyridin-2-one (CID 24689280) is 5-bromo-1-(2-bromoethyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(2-bromoethyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(2-bromoethyl)pyridin-2-one is O=c1ccc(Br)cn1CCBr.
What is the InChIKey of 5-bromo-1-(2-bromoethyl)pyridin-2-one?
The InChIKey is MDFSFHJKQYPUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2NO/c8-3-4-10-5-6(9)1-2-7(10)11/h1-2,5H,3-4H2.
What are the key properties of 5-bromo-1-(2-bromoethyl)pyridin-2-one?
5-bromo-1-(2-bromoethyl)pyridin-2-one has a molecular weight of 280.95 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-bromoethyl)pyridin-2-one is sourced from PubChem (CID 24689280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).