5-Bromo-2-iodopyrimidine

C₄H₂BrIN₂CAS 183438-24-6284.88 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₄H₂BrIN₂
Molar mass: 284.88 g/mol
Exact mass: 283.8446 Da
logP: 1.84Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed83% of notifiers
H315 Causes skin irritation96.2% of notifiers
H318 Causes serious eye damage79.2% of notifiers
H319 Causes serious eye irritation17% of notifiers
H335 May cause respiratory irritation17% of notifiers

Aggregated from 53 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

183438-24-6

SMILES

C1=C(C=NC(=N1)I)Br

InChIKey

ZEZKXPQIDURFKA-UHFFFAOYSA-N

InChI

InChI=1S/C4H2BrIN2/c5-3-1-7-4(6)8-2-3/h1-2H

Weigh it out

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

Work with 5-Bromo-2-iodopyrimidine

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

2,5-Dibromopyrimidine32779-37-652 % similar 5-Bromo-2-chloropyrimidine32779-36-550 % similar 5-Bromo-2-iodopyridine223463-13-648 % similar 5-Bromo-2-pyrimidinol214290-49-048 % similar 5-Bromo-2(1H)-pyrimidinone38353-06-948 % similar 5-Bromo-2-fluoropyrimidine62802-38-448 % similar 5-Bromo-2-methylpyrimidine7752-78-548 % similar 5-Chloro-2-iodopyrimidine874676-81-048 % similar

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

Same formula

2-Bromo-5-iodopyrazine622392-04-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook