chempirical

Acetonylpyridinium bromide

C8H10BrNOCAS 17282-41-6216.08 g/mol

Open in Covalent MOL file
ON+Br−
Ketone

Properties

Molecular formula
C8H10BrNO
Molar mass
216.08 g/mol
Exact mass
214.9946 Da
Melting point
201 °C (decomposes)
logP
-2.43Crippen estimate
Polar surface area
20.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
17282-41-6
SMILES
CC(=O)C[n+]1ccccc1.[Br-]
InChIKey
RBFIDROZWYVUGX-UHFFFAOYSA-M
InChI
InChI=1S/C8H10NO.BrH/c1-8(10)7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3;1H/q+1;/p-1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Pyridinium, 1-(2-oxopropyl)-, bromide (1:1)
  • Pyridinium, 1-acetonyl-, bromide
  • Pyridinium, 1-(2-oxopropyl)-, bromide
  • 1-Acetonylpyridinium bromide
  • N-Acetonylpyridinium bromide

Work with Acetonylpyridinium bromide

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

Phenacylpyridinium bromide16883-69-550 % similar Ethylpyridinium bromide1906-79-245 % similar Acetonyltriphenylphosphonium bromide2236-01-342 % similar Dodecylpyridinium bromide104-73-437 % similar Cetylpyridinium bromide140-72-737 % similar Octylpyridinium bromide2534-66-937 % similar Phenylacetone103-79-736 % similar Benzylacetone2550-26-735 % similar

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

Same formula

4-Bromo-3-ethoxybenzenamine125756-95-8 6-Bromo-α,α-dimethyl-3-pyridinemethanol477252-29-2 5-Bromo-2-(1-methylethoxy)pyridine870521-31-6

Elsewhere

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