chempirical

5-Bromopyrimidine

C4H3BrN2CAS 4595-59-9158.99 g/mol

Open in Covalent MOL file
BrNN
Aryl halide

Properties

Molecular formula
C4H3BrN2
Molar mass
158.99 g/mol
Exact mass
157.9480 Da
Melting point
71–73 °C
Boiling point
60–80 °C (at 10 Torr)
logP
1.24Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
4595-59-9
SMILES
Brc1cncnc1
InChIKey
GYCPLYCTMDTEPU-UHFFFAOYSA-N
InChI
InChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H

Weigh it out

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

Names and synonyms

1 names
  • Pyrimidine, 5-bromo-

Work with 5-Bromopyrimidine

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

3,5-Dibromopyridine625-92-356 % similar 3-Bromopyridine626-55-145 % similar 3-Bromo-5-methylpyridine3430-16-842 % similar 5-Bromo-3-pyridinol74115-13-242 % similar 5-Bromo-2-pyrimidinol214290-49-041 % similar 5-Bromo-2(1H)-pyrimidinone38353-06-941 % similar 5-Bromo-2-fluoropyrimidine62802-38-441 % similar 4-Bromopyridine1120-87-240 % similar

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

Same formula

2-Bromopyrimidine4595-60-2

Elsewhere

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