4-(Bromoacetyl)pyridine hydrobromide

C₇H₇Br₂NOCAS 5349-17-7280.95 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₇H₇Br₂NO
Molar mass: 280.95 g/mol
Exact mass: 278.8894 Da
logP: 2.24Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5349-17-7

SMILES

C1=CN=CC=C1C(=O)CBr.Br

InChIKey

RGALBQILADNMKA-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrNO.BrH/c8-5-7(10)6-1-3-9-4-2-6;/h1-4H,5H2;1H

Weigh it out

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Work with 4-(Bromoacetyl)pyridine hydrobromide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-757 % similar Phenacyl bromide70-11-157 % similar 4-Bromophenacyl bromide99-73-053 % similar 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-552 % similar 4-Fluorophenacyl bromide403-29-252 % similar 2′-Bromo-4-chloroacetophenone536-38-952 % similar 4-Methylphenacyl bromide619-41-052 % similar 2-Bromo-1-(2-chloropyridin-4-yl)ethanone23794-16-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromide17570-98-8 3-(2-Bromoacetyl)pyridine hydrobromide17694-68-7 2-Amino-3,5-dibromobenzenemethanol50739-76-9

Elsewhere

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