chempirical

3-Acetyl-5-bromopyridine

C7H6BrNOCAS 38940-62-4200.03 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
38940-62-4
SMILES
CC(=O)C1=CC(=CN=C1)Br
InChIKey
LDBPZEQZCOUYFT-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO/c1-5(10)6-2-7(8)4-9-3-6/h2-4H,1H3

Weigh it out

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

Work with 3-Acetyl-5-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

1-(3,5-Dibromophenyl)ethanone14401-73-161 % similar 1-(Pyrimidin-5-yl)ethan-1-one10325-70-957 % similar 5-Bromonicotinic acid20826-04-456 % similar 5-Bromonicotinoyl chloride39620-02-556 % similar Methyl 5-bromopyridine-3-carboxylate29681-44-556 % similar P-Bromoacetophenone99-90-153 % similar 3-Bromoacetophenone2142-63-453 % similar 5-Bromonicotinohydrazide112193-41-651 % 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 2-Bromobenzamide4001-73-4 2-Acetyl-6-bromopyridine49669-13-8

Elsewhere

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