4-Bromo-2,2'-bipyridyl

C₁₀H₇BrN₂CAS 14162-95-9235.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₇BrN₂
Molar mass: 235.08 g/mol
Exact mass: 233.9793 Da
logP: 2.91Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302+H312 Harmful if swallowed or in contact with skin50% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

14162-95-9

SMILES

C1=CC=NC(=C1)C2=NC=CC(=C2)Br

InChIKey

SCOXFIBXWCCICG-UHFFFAOYSA-N

InChI

InChI=1S/C10H7BrN2/c11-8-4-6-13-10(7-8)9-3-1-2-5-12-9/h1-7H

Weigh it out

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

Names and synonyms

1 names

4-Bromo-2,2''-bipyridine

Work with 4-Bromo-2,2'-bipyridyl

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

4,4′-Dibromo-2,2′-bipyridine18511-71-275 % similar 4'-Bromo-2,2':6',2''-terpyridine149817-62-971 % similar 2-(3-Bromophenyl)pyridine4373-60-861 % similar 2,2'-Bipyridine366-18-758 % similar 4-Chloro-2,2'-bipyridine14162-94-857 % similar 2-(4-Bromophenyl)pyriding63996-36-157 % similar 4′-(4-Bromophenyl)-2,2′:6′,2′′-terpyridine89972-76-956 % similar Terpyridine1148-79-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-2,2'-bipyridine10495-73-5

Elsewhere

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