1-(Cyanomethyl)pyridinium chloride

C₇H₇ClN₂CAS 17281-59-3154.60 g/mol

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Properties

Molecular formula: C₇H₇ClN₂
Molar mass: 154.60 g/mol
Exact mass: 154.0298 Da
Melting point: 178 °C
logP: -2.50Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

17281-59-3

SMILES

N#CC[n+]1ccccc1.[Cl-]

InChIKey

HEJOROWXIWLCMS-UHFFFAOYSA-M

InChI

InChI=1S/C7H7N2.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,7H2;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

5 names

Pyridinium, 1-(cyanomethyl)-, chloride (1:1)
Pyridinium, 1-(cyanomethyl)-, chloride
Cyanomethylpyridinium chloride
1-(Cyanomethyl)pyridin-1-ium chloride
N-(Cyanomethyl)pyridinium chloride

Work with 1-(Cyanomethyl)pyridinium chloride

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

Elsewhere

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