2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromide

C₇H₇Br₂NOCAS 17570-98-8280.95 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

17570-98-8

SMILES

C1=CC=NC(=C1)C(=O)CBr.Br

InChIKey

BYKVUGZUYJUSKD-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

2-(Bromoacetyl)pyridine hydrobromide

Work with 2-Bromo-1-(2-pyridinyl)-1-ethanone 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-Di(2-pyridyl)-1,3-propanedione10198-89-763 % similar β-Oxo-2-pyridinepropanenitrile54123-21-654 % similar 2-Pyridyl ketone19437-26-448 % similar 2,2′-Pyridil492-73-948 % similar Phenacyl bromide70-11-147 % similar Ethyl 3-oxo-3-(pyridin-2-yl)propanoate26510-52-147 % similar Chromium(III) picolinate14639-25-945 % similar Zinc picolinate17949-65-445 % similar

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

Same formula

3-(2-Bromoacetyl)pyridine hydrobromide17694-68-7 2-Amino-3,5-dibromobenzenemethanol50739-76-9 4-(Bromoacetyl)pyridine hydrobromide5349-17-7

Elsewhere

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