1-(6-Bromo-pyridin-3-yl)-ethanone

C₇H₆BrNOCAS 139042-59-4200.03 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₇H₆BrNO
Molar mass: 200.03 g/mol
Exact mass: 198.9633 Da
logP: 2.05Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

139042-59-4

SMILES

CC(=O)C1=CN=C(C=C1)Br

InChIKey

MUKKGHQBUKOMTD-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrNO/c1-5(10)6-2-3-7(8)9-4-6/h2-4H,1H3

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Names and synonyms

1 names

5-Acetyl-2-bromopyridine

Work with 1-(6-Bromo-pyridin-3-yl)-ethanone

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-(6-Methyl-3-pyridinyl)ethanone36357-38-759 % similar 1,4-Diacetylbenzene1009-61-652 % similar 3-Acetylpyridine350-03-847 % similar 1-(4′-Bromo[1,1′-biphenyl]-4-yl)ethanone5731-01-147 % similar 1-(Pyrimidin-5-yl)ethan-1-one10325-70-945 % similar 1-(5-Bromopyrimidin-2-yl)ethanone1189169-37-644 % similar 4-Acetylpyridine1122-54-944 % similar P-Methylacetophenone122-00-944 % similar

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

Same formula

1-(3-Bromopyridin-4-yl)ethanone111043-06-2 3-Bromobenzamide22726-00-7 2-Amino-5-bromobenzaldehyde29124-57-0 2-Bromobenzaldoxime34158-72-0 2-Bromobenzamide4001-73-4 4-Bromobenzamide698-67-9

Elsewhere

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