4-Bromopyrimidine

C4H3BrN2CAS 31462-56-3158.99 g/mol

Open in Covalent MOL file
NNBr
Aryl halide

Properties

Molecular formula
C4H3BrN2
Molar mass
158.99 g/mol
Exact mass
157.9480 Da
logP
1.24Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Irritant (GHS07)

Aggregated from 18 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P501

Identifiers

CAS number
31462-56-3
SMILES
C1=CN=CN=C1Br
InChIKey
XDADSGBUZWZQQQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H3BrN2/c5-4-1-2-6-3-7-4/h1-3H

Weigh it out

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Names and synonyms

1 names
  • Pyrimidine, 4-bromo- (8ci,9ci)

Work with 4-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

2-Bromopyridine109-04-652 % similar 4,6-Dibromopyrimidine36847-10-645 % similar 4-Methylpyrimidine3438-46-844 % similar 4-Hydroxypyrimidine4562-27-044 % similar 4(3H)-Pyrimidinone51953-17-444 % similar 2,4-Dibromopyrimidine3921-01-542 % similar Pyrimidine-4-carboxaldehyde2435-50-939 % similar (Pyrimidin-4-yl)methanol33581-98-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromopyrimidine4595-59-9 2-Bromopyrimidine4595-60-2 2-Bromopyrazine56423-63-3 3-Bromopyridazine88491-61-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook