2,3-Dibromopyridine

C₅H₃Br₂NCAS 13534-89-9236.89 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₅H₃Br₂N
Molar mass: 236.89 g/mol
Exact mass: 234.8632 Da
logP: 2.61Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed11.1% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled11.1% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13534-89-9

SMILES

C1=CC(=C(N=C1)Br)Br

InChIKey

SLMHHOVQRSSRCV-UHFFFAOYSA-N

InChI

InChI=1S/C5H3Br2N/c6-4-2-1-3-8-5(4)7/h1-3H

Weigh it out

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

Work with 2,3-Dibromopyridine

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-Bromo-3-iodopyridine265981-13-356 % similar 2-Bromo-3-methylpyridine3430-17-956 % similar 3-Amino-2-bromopyridine39856-58-156 % similar 2-Bromo-3-fluoropyridine40273-45-856 % similar 2-Bromo-3-pyridinol6602-32-056 % similar 2-Bromo-3-chloropyridine96424-68-956 % similar 3-Bromo-2(1H)-pyridinone13466-43-852 % similar 2-Amino-3-bromopyridine13534-99-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dibromopyridine13534-90-2 2,4-Dibromopyridine58530-53-3 2,5-Dibromopyridine624-28-2 3,5-Dibromopyridine625-92-3 2,6-Dibromopyridine626-05-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook