4′-(4-Bromophenyl)-2,2′:6′,2′′-terpyridine

C₂₁H₁₄BrN₃CAS 89972-76-9388.27 g/mol

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Properties

Molecular formula: C₂₁H₁₄BrN₃
Molar mass: 388.27 g/mol
Exact mass: 387.0371 Da
Melting point: 154–156 °C
logP: 5.64Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

89972-76-9

SMILES

Brc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1

InChIKey

BOPPHKMZOYPASP-UHFFFAOYSA-N

InChI

InChI=1S/C21H14BrN3/c22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19/h1-14H

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Names and synonyms

4 names

2,2′:6′,2′′-Terpyridine, 4′-(4-bromophenyl)-
4′-p-Bromophenyl-2,2′:6′,2′′-terpyridine
4′-(4-Bromphenyl)-2,2′:6′,2′′-terpyridine
4-(4-Bromophenyl)-2,2′:6,2′′-terpyridine

Work with 4′-(4-Bromophenyl)-2,2′:6′,2′′-terpyridine

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-Bromophenyl)pyridine4373-60-853 % similar Terpyridine1148-79-452 % similar 4′-Chloro-2,2′:6′,2′′-terpyridine128143-89-551 % similar 4-Bromo-5′-phenyl-1,1′:3′,1′′-terphenyl116941-52-750 % similar 2,2′-Bipyridine366-18-748 % similar 2,2':6',2''-Terpyridine-4'-carbaldehyde108295-45-047 % similar 6-Bromo-2,2'-bipyridine10495-73-547 % similar 2-Phenylpyridine1008-89-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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