4′-Chloro-2,2′:6′,2′′-terpyridine

C₁₅H₁₀ClN₃CAS 128143-89-5267.72 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₅H₁₀ClN₃
Molar mass: 267.72 g/mol
Exact mass: 267.0563 Da
Melting point: 149–152 °C
logP: 3.86Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed85.1% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage85.1% of notifiers
H319 Causes serious eye irritation14.9% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

128143-89-5

SMILES

Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1

InChIKey

AHEMFMCEBIJRMU-UHFFFAOYSA-N

InChI

InChI=1S/C15H10ClN3/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

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

Names and synonyms

2 names

2,2′:6′,2′′-Terpyridine, 4′-chloro-
4′-Chloro-2,2,2′:6′,2′′-terpyridine

Work with 4′-Chloro-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-Chloro-2,2'-bipyridine14162-94-874 % similar Terpyridine1148-79-468 % similar 4'-Bromo-2,2':6',2''-terpyridine149817-62-960 % similar 2,2'-Bipyridine366-18-758 % similar 2-(4-Chlorophenyl)pyridine5969-83-557 % similar 2,2':6',2''-Terpyridine-4'-carbaldehyde108295-45-055 % similar 4,4'-Dichloro-2,2'-bipyridine1762-41-052 % similar (2,2'-Bipyridine)dichloropalladium(II)14871-92-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4,6-diphenyl-1,3,5-triazine3842-55-5

Elsewhere

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