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

C21H14BrN3CAS 89972-76-9388.27 g/mol

Open in Covalent MOL file
BrNNN
Aryl halide

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 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

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

Weigh it out

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

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

4'-Bromo-2,2':6',2''-terpyridine149817-62-971 % similar 2-(4-Bromophenyl)pyriding63996-36-168 % similar 4'-(4-Methylphenyl)-2,2'-6',2''-terpyridine89972-77-066 % similar 4-[2,2':6',2''-Terpyridin]-4'-ylbenzoic acid158014-74-556 % similar 4-Bromo-2,2'-bipyridyl14162-95-956 % similar 2-(3-Bromophenyl)pyridine4373-60-853 % similar Terpyridine1148-79-452 % similar 4′-Chloro-2,2′:6′,2′′-terpyridine128143-89-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine23449-08-3 2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine864377-31-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook