3-Bromo-4,5-dichloropyridine

C₅H₂BrCl₂NCAS 1001056-83-2226.88 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

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

1001056-83-2

SMILES

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

InChIKey

YPRODAZVOKKURG-UHFFFAOYSA-N

InChI

InChI=1S/C5H2BrCl2N/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-Bromo-4,5-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

3,5-Dibromo-4-chloropyridine13626-17-073 % similar 3,4,5-Trichloropyridine33216-52-364 % similar 3-Bromo-4-chloropyridine36953-42-150 % similar 1-Bromo-2,3-dichlorobenzene56961-77-450 % similar 4-Bromo-3-chloropyridine73583-41-250 % similar 3-Bromo-4-chloro-5-nitropyridine31872-63-647 % similar 3-Bromo-4-chloropyridine hydrochloride181256-18-845 % similar 1-Bromo-2,3,5-trichlorobenzene81067-38-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-2,5-dichloropyridine138006-41-4 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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