3,4,5-Tribromopyridine

C₅H₂Br₃NCAS 2457-48-9315.79 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₅H₂Br₃N
Molar mass: 315.79 g/mol
Exact mass: 312.7737 Da
logP: 3.37Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed88.9% of notifiers
H311 Toxic in contact with skin88.9% of notifiers
H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H331 Toxic if inhaled88.9% of notifiers
H335 May cause respiratory irritation95.6% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2457-48-9

SMILES

C1=C(C(=C(C=N1)Br)Br)Br

InChIKey

CWYVUHWKGWQPLP-UHFFFAOYSA-N

InChI

InChI=1S/C5H2Br3N/c6-3-1-9-2-4(7)5(3)8/h1-2H

Weigh it out

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

Work with 3,4,5-Tribromopyridine

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-Dibromo-4-chloropyridine13626-17-052 % similar 3,5-Dibromo-4-methylpyridine3430-23-752 % similar 4-Amino-3,5-dibromopyridine84539-34-452 % similar 3,5-Dibromopyridine-4-carboxaldehyde70201-42-246 % similar 3,5-Dibromopyridine-4-carbonitrile870244-34-146 % similar 3,4-Dibromopyridine13534-90-245 % similar 4-Bromo-3,5-dichloropyridine343781-45-345 % similar 1,2,3-Tribromo-5-fluorobenzene576-82-945 % similar

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

Same formula

2,3,5-Tribromopyridine75806-85-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook