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

C6H5BrN2OCAS 1189169-37-6201.02 g/mol

Open in Covalent MOL file
ONNBr
Aryl halideKetone

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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-Bromopyridin-2-yl)ethan-1-one214701-49-258 % similar 1-(Pyrimidin-2-yl)ethan-1-one53342-27-154 % similar 5-Bromopyrimidine-2-carboxylic acid37131-87-653 % similar Methyl 5-bromopyrimidine-2-carboxylate89581-38-453 % similar 1-(5-Bromo-2-fluoropyridin-3-yl)ethanone1111637-74-151 % similar 3-Acetyl-5-bromopyridine38940-62-450 % similar 1-(3,5-Dibromophenyl)ethanone14401-73-148 % similar P-Bromoacetophenone99-90-147 % 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 2-Bromoisonicotinamide29840-73-1 5-Bromopyridine-2-carboxamide 97%5-bromopicolinamide90145-48-5

Elsewhere

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