1-(4-Pyridinyl)pyridinium chloride hydrochloride

C₁₀H₁₀Cl₂N₂CAS 5421-92-1229.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀Cl₂N₂
Molar mass: 229.10 g/mol
Exact mass: 228.0221 Da
Melting point: 172–174 °C
logP: -1.22Crippen estimate
Polar surface area: 16.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

5421-92-1

SMILES

Cl.[Cl-].c1cc[n+](-c2ccncc2)cc1

InChIKey

QZOFFMRDIRXGKJ-UHFFFAOYSA-M

InChI

InChI=1S/C10H9N2.2ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;;/h1-9H;2*1H/q+1;;/p-1

Weigh it out

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

Names and synonyms

5 names

1,4′-Bipyridinium, chloride, hydrochloride (1:1:1)
1,4′-Bipyridinium, chloride, hydrochloride
1-(4-Pyridyl)pyridinium chloride, hydrochloride
N-(4-Pyridyl)pyridinium chloride hydrochloride
4-Pyridylpyridinium chloride hydrochloride

Work with 1-(4-Pyridinyl)pyridinium chloride hydrochloride

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-Bromopyridine hydrochloride19524-06-240 % similar Pyridinium chloride628-13-737 % similar 4-Fluoropyridine hydrochloride39160-31-135 % similar 4-Chloropyridine hydrochloride7379-35-335 % similar Tetraphenylarsanium;chloride;hydrochloride73003-83-534 % similar 4-Hydrazinylpyridine hydrochloride20815-52-533 % similar 4-Phenylpyridine939-23-133 % similar 4-Picolyl chloride hydrochloride1822-51-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5,6-Dichloro-1-ethyl-2-methyl-1H-benzimidazole3237-62-5

Elsewhere

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