1-(5-Bromopyrimidin-2-yl)ethanone

C₆H₅BrN₂OCAS 1189169-37-6201.02 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₆H₅BrN₂O
Molar mass: 201.02 g/mol
Exact mass: 199.9585 Da
logP: 1.44Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

1189169-37-6

SMILES

CC(=O)C1=NC=C(C=N1)Br

InChIKey

NZGSEUQFYKCKRU-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrN2O/c1-4(10)6-8-2-5(7)3-9-6/h2-3H,1H3

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

Names and synonyms

1 names

1-(5-Bromopyrimidin-2-yl)ethan-1-one

Work with 1-(5-Bromopyrimidin-2-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-(5-Bromo-2-fluoropyridin-3-yl)ethanone1111637-74-151 % similar 1-(3,5-Dibromophenyl)ethanone14401-73-148 % similar 1-(4′-Bromo[1,1′-biphenyl]-4-yl)ethanone5731-01-142 % similar 1-(Pyrimidin-5-yl)ethan-1-one10325-70-940 % similar Acetylpyrazine22047-25-239 % similar 5-Bromo-2-(methylsulfonyl)pyrimidine38275-48-839 % similar 1-(3-Bromopyridin-4-yl)ethanone111043-06-239 % similar 5-Bromo-N,N-dimethyl-2-pyrimidinamine38696-21-839 % similar

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

Same formula

6-Bromo-2-pyridinecarboxamide25194-52-9 5-Bromonicotinamide28733-43-9

Elsewhere

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