4'-Bromo-2,2':6',2''-terpyridine

C₁₅H₁₀BrN₃CAS 149817-62-9312.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₀BrN₃
Molar mass: 312.17 g/mol
Exact mass: 311.0058 Da
logP: 3.97Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the 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

149817-62-9

SMILES

C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)Br

InChIKey

CJRRILXBSCRHKN-UHFFFAOYSA-N

InChI

InChI=1S/C15H10BrN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H

Weigh it out

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Work with 4'-Bromo-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'-bipyridyl14162-95-971 % similar 4′-(4-Bromophenyl)-2,2′:6′,2′′-terpyridine89972-76-971 % similar Terpyridine1148-79-462 % similar 4′-Chloro-2,2′:6′,2′′-terpyridine128143-89-560 % similar 2,2′-Bipyridine366-18-758 % similar 2-(4-Bromophenyl)pyriding63996-36-157 % similar 2-(3-Bromophenyl)pyridine4373-60-856 % similar 6-Bromo-2,2'-bipyridine10495-73-555 % similar

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

Elsewhere

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