chempirical

2-Acetyl-6-bromopyridine

C7H6BrNOCAS 49669-13-8200.03 g/mol

Open in Covalent MOL file
ONBr
Aryl halideKetone

Properties

Molecular formula
C7H6BrNO
Molar mass
200.03 g/mol
Exact mass
198.9633 Da
logP
2.05Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
49669-13-8
SMILES
CC(=O)C1=NC(=CC=C1)Br
InChIKey
RUJTWTUYVOEEFW-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO/c1-5(10)6-3-2-4-7(8)9-6/h2-4H,1H3

Weigh it out

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

Work with 2-Acetyl-6-bromopyridine

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

2,6-Diacetylpyridine1129-30-270 % similar 1-(6-Methyl-2-pyridinyl)ethanone6940-57-459 % similar 6-Bromopyridine-2-carboxylic acid21190-87-458 % similar 6-Bromo-2-pyridinecarboxamide25194-52-958 % similar Methyl 6-bromo-2-pyridinecarboxylate26218-75-757 % similar Ethyl 6-bromopicolinate21190-88-553 % similar 2-Acetylpyridine1122-62-948 % similar 2,6-Dibromopyridine626-05-148 % similar

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

Same formula

1-(3-Bromopyridin-4-yl)ethanone111043-06-2 1-(6-Bromo-pyridin-3-yl)-ethanone139042-59-4 1-(5-Bromopyridin-2-yl)ethan-1-one214701-49-2 3-Bromobenzamide22726-00-7 2-Amino-5-bromobenzaldehyde29124-57-0 2-Bromobenzaldoxime34158-72-0 3-Acetyl-5-bromopyridine38940-62-4 2-Bromobenzamide4001-73-4

Elsewhere

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