2-Bromopyrimidine

C4H3BrN2CAS 4595-60-2158.99 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
55.5–57 °C
logP
1.24Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
4595-60-2
SMILES
Brc1ncccn1
InChIKey
PGFIHORVILKHIA-UHFFFAOYSA-N
InChI
InChI=1S/C4H3BrN2/c5-4-6-2-1-3-7-4/h1-3H

Weigh it out

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

Names and synonyms

2 names
  • Pyrimidine, 2-bromo-
  • NSC 88935

Work with 2-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

2,2′-Bipyrimidine34671-83-547 % similar 2,5-Dibromopyrimidine32779-37-645 % similar 2,4-Dibromopyrimidine3921-01-543 % similar 2-Chloropyrimidine1722-12-942 % similar 2-Bromopyridine109-04-641 % similar 2-Bromopyrimidin-5-ol1240621-87-741 % similar 2-Bromo-5-chloropyrimidine124405-67-041 % similar 2-Bromo-5-methylpyrimidine150010-20-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromopyrimidine31462-56-3 5-Bromopyrimidine4595-59-9 2-Bromopyrazine56423-63-3 3-Bromopyridazine88491-61-6

Elsewhere

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