3-(2-Bromoacetyl)pyridine hydrobromide

C7H7Br2NOCAS 17694-68-7280.95 g/mol

Open in Covalent MOL file
HBrOBrN
Alkyl halideKetone

Properties

Molecular formula
C7H7Br2NO
Molar mass
280.95 g/mol
Exact mass
278.8894 Da
Melting point
198 °C
logP
2.24Crippen estimate
Polar surface area
30.0 Ų
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.

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Identifiers

CAS number
17694-68-7
SMILES
Br.O=C(CBr)c1cccnc1
InChIKey
WDTSYONULAZKIE-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO.BrH/c8-4-7(10)6-2-1-3-9-5-6;/h1-3,5H,4H2;1H

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Names and synonyms

7 names
  • Ethanone, 2-bromo-1-(3-pyridinyl)-, hydrobromide (1:1)
  • Ketone, bromomethyl 3-pyridyl, hydrobromide
  • Ethanone, 2-bromo-1-(3-pyridinyl)-, hydrobromide
  • 3-(Bromoacetyl)pyridine hydrobromide
  • 2-Bromo-1-(3-pyridinyl)-1-ethanone hydrobromide
  • 2-Bromo-1-pyridin-3-ylethanone hydrobromide
  • 2-Bromo-1-(3-pyridyl)ethanone hydrobromide

Work with 3-(2-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-(3-Pyridyl)propan-1-one1570-48-558 % similar Phenacyl bromide70-11-155 % similar Methyl β-oxo-3-pyridinepropanoate54950-20-850 % similar Ethyl 3-oxo-3-(pyridin-3-yl)propanoate6283-81-448 % similar 3-Bromophenacyl bromide18523-22-347 % similar 2-Bromo-1-(3-chlorophenyl)ethanone41011-01-246 % similar 3-Fluorophenacyl bromide53631-18-846 % similar Sodium nicotinate54-86-446 % 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 2-Amino-3,5-dibromobenzenemethanol50739-76-9 4-(Bromoacetyl)pyridine hydrobromide5349-17-7

Elsewhere

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