3-Bromo-2,5-dichloropyridine

C₅H₂BrCl₂NCAS 138006-41-4226.88 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₅H₂BrCl₂N
Molar mass: 226.88 g/mol
Exact mass: 224.8748 Da
logP: 3.15Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed14.3% of notifiers
H302 Harmful if swallowed71.4% of notifiers
H312 Harmful in contact with skin71.4% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H332 Harmful if inhaled71.4% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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

138006-41-4

SMILES

C1=C(C=NC(=C1Br)Cl)Cl

InChIKey

CDBHWRZEXFQNBI-UHFFFAOYSA-N

InChI

InChI=1S/C5H2BrCl2N/c6-4-1-3(7)2-9-5(4)8/h1-2H

Weigh it out

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

Work with 3-Bromo-2,5-dichloropyridine

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

2,3-Dibromo-5-chloropyridine137628-17-263 % similar 2-Chloro-3,5-dibromopyridine40360-47-263 % similar 5-Bromo-6-chloro-3-pyridinamine130284-53-659 % similar 3-Bromo-2-chloro-5-methylpyridine17282-03-059 % similar 3-Bromo-5-chloropyridin-2-amine26163-03-159 % similar 3-Bromo-2-chloro-5-fluoropyridine884494-36-459 % similar 2,3,5-Trichloropyridine16063-70-056 % similar 3-Bromo-5-chloro-2-methoxy-pyridine102830-75-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-4,5-dichloropyridine1001056-83-2 3-Bromo-2,4-dichloropyridine144584-32-7 2-Bromo-3,5-dichloropyridine14482-51-0 4-Bromo-3,5-dichloropyridine343781-45-3 5-Bromo-2,4-dichloro-pyridine849937-96-8 3-Bromo-2,6-dichloropyridine866755-20-6 5-Bromo-2,3-dichloropyridine97966-00-2 4-Bromo-2,6-dichloropyridine98027-80-6

Elsewhere

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