1-(3-Bromopyridin-4-yl)ethanone

C₇H₆BrNOCAS 111043-06-2200.03 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

111043-06-2

SMILES

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

InChIKey

JCSJIVMVXJQSDE-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

1-(3-Bromopyridin-4-yl)ethan-1-one

Work with 1-(3-Bromopyridin-4-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

3-Bromoisonicotinic acid13959-02-959 % similar 2′-Bromoacetophenone2142-69-058 % similar 1-(2-Bromo-4-fluorophenyl)ethanone1006-39-949 % similar 4-Acetylpyridine1122-54-947 % similar 1-(3-Bromo-2-fluorophenyl)ethanone161957-61-546 % similar 3-Acetylpyridine350-03-846 % similar 3-Bromo-4-methylpyridine3430-22-645 % similar 1-(2-Bromo-5-fluorophenyl)ethanone1006-33-345 % similar

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

Same formula

1-(6-Bromo-pyridin-3-yl)-ethanone139042-59-4 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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