1-(2-Bromoethyl)-2-(pyridin-2-yl)pyridin-1-ium bromide

HCID 47282

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Basic information

CAS: 64082-36-6
Standard SMILES: BrCC[n+]1ccccc1-c1ccccn1.[Br-]
InChIKey: NXBWKTSTZZBXEU-UHFFFAOYSA-M
Molecular formula: C12H12Br2N2
Average molar mass: 344.04 g/mol
Monoisotopic mass: 341.93672

Names & identifiers

Preferred name: 1-(2-Bromoethyl)-2-(pyridin-2-yl)pyridin-1-ium bromide
IUPAC: 1-(2-bromoethyl)-2-pyridin-2-ylpyridin-1-ium bromide

Names & synonyms

64082-36-6DTXSID409825781-(2-Bromoethyl)-2-(pyridin-2-yl)pyridin-1-ium bromideRefChem:1053912DTXCID901409840N-2-Bromoethyldipyridinium bromideBIPYRIDINIUM, N-(2-BROMOETHYL)-, BROMIDE

Database identifiers

CAS: 64082-36-6
PubChem CID: 47282
DTXSID: DTXSID40982578

Properties

Computed structural properties

Topological polar surface area: 16.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 186

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