1-(Cyanomethyl)pyridinium chloride

C₇H₇ClN₂CAS 17281-59-3154.60 g/mol

Open in Covalent MOL file

Nitrile

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

Hazards

Danger

H301 Toxic if swallowed11.4% of notifiers
H302 Harmful if swallowed88.6% of notifiers
H312 Harmful in contact with skin88.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled88.6% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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

Similar compounds

Ethylpyridinium chloride2294-38-446 % similar Butylpyridinium chloride1124-64-740 % similar 1-(Carbamoylmethyl)pyridinium Chloride41220-29-539 % similar (Cyanomethyl)triphenylphosphonium chloride4336-70-339 % similar Dodecylpyridinium chloride104-74-538 % similar Cetylpyridinium chloride123-03-538 % similar Tetradecylpyridinium chloride2785-54-838 % similar 1-Methylpyridinium chloride7680-73-135 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-6,7-dihydro-5H-pyrrolo[3,4-B]pyridine810668-57-6 4-Pyridylacetonitrile hydrochloride92333-25-0

Elsewhere

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