5-Bromopyrimidine

C₄H₃BrN₂CAS 4595-59-9158.99 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation57.1% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation53.8% of notifiers

Aggregated from 91 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

4595-59-9

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 2,5-Dibromopyrimidine32779-37-645 % similar 5-Bromo-2-chloropyrimidine32779-36-543 % similar 3-Amino-5-bromopyridine13535-01-842 % similar 3-Bromo-5-iodopyridine233770-01-942 % similar 3-Bromo-5-methylpyridine3430-16-842 % similar 3-Bromo-5-fluoropyridine407-20-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromopyrimidine31462-56-3 2-Bromopyrimidine4595-60-2 2-Bromopyrazine56423-63-3 3-Bromopyridazine88491-61-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook