4-Pyridylacetonitrile hydrochloride

C₇H₇ClN₂CAS 92333-25-0154.60 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₇H₇ClN₂
Molar mass: 154.60 g/mol
Exact mass: 154.0298 Da
logP: 1.57Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.7% of notifiers
H335 May cause respiratory irritation100% 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+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

92333-25-0

SMILES

C1=CN=CC=C1CC#N.Cl

InChIKey

UBYQSEXKPQZPCN-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2.ClH/c8-4-1-7-2-5-9-6-3-7;/h2-3,5-6H,1H2;1H

Weigh it out

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

Work with 4-Pyridylacetonitrile 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pyridin-4-yl-acetonitrile13121-99-8Free base

Similar compounds

1,4-Benzenediacetonitrile622-75-358 % similar Benzyl cyanide140-29-454 % similar 3-Pyridineacetonitrile6443-85-252 % similar 4-Picolyl chloride hydrochloride1822-51-148 % similar 4-(4-Pyridinyl)butyl chloride hydrochloride149463-65-047 % similar 4-Benzylphenylacetonitrile101096-72-447 % similar (4-Chlorophenyl)acetonitrile140-53-447 % similar 4-Hydroxybenzyl cyanide14191-95-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(Cyanomethyl)pyridinium chloride17281-59-3 2-Chloro-6,7-dihydro-5H-pyrrolo[3,4-B]pyridine810668-57-6

Elsewhere

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