5-Bromo-2,3-dichloropyridine

C₅H₂BrCl₂NCAS 97966-00-2226.88 g/mol

Open in Covalent MOL file

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 swallowed66.7% of notifiers
H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

97966-00-2

SMILES

C1=C(C=NC(=C1Cl)Cl)Br

InChIKey

XWSCOGPKWVNQSV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 5-Bromo-2,3-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

2,5-Dibromo-3-chloropyridine160599-70-263 % similar 2-Chloro-3,5-dibromopyridine40360-47-263 % similar 5-Bromo-2-chloro-pyridin-3-ol286946-77-859 % similar 5-Bromo-2-chloro-3-methylpyridine29241-60-959 % similar 5-Bromo-3-chloropyridin-2-amine38185-55-659 % similar 5-Bromo-3-chloro-2-fluoropyridine38185-56-759 % similar 3-Amino-5-bromo-2-chloropyridine588729-99-159 % similar 5-Bromo-2-chloro-3-fluoropyridine831203-13-559 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-4,5-dichloropyridine1001056-83-2 3-Bromo-2,5-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 4-Bromo-2,6-dichloropyridine98027-80-6

Elsewhere

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