4-(Bromoacetyl)pyridine hydrobromide

C7H7Br2NOCAS 5349-17-7280.95 g/mol

Open in Covalent MOL file
NOBrHBr
Alkyl halideKetone

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-252 % similar 2′-Bromo-4-chloroacetophenone536-38-952 % similar 2-Bromo-4'-methylacetophenone619-41-052 % 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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