4-Ethynylpyridine hydrochloride

C₇H₆ClNCAS 352530-29-1139.58 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆ClN
Molar mass: 139.58 g/mol
Exact mass: 139.0189 Da
logP: 1.48Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

352530-29-1

SMILES

C#CC1=CC=NC=C1.Cl

InChIKey

KFBZWZGIZHLUBX-UHFFFAOYSA-N

InChI

InChI=1S/C7H5N.ClH/c1-2-7-3-5-8-6-4-7;/h1,3-6H;1H

Weigh it out

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

Work with 4-Ethynylpyridine 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.

4-Ethynylpyridine2510-22-7Free base

Similar compounds

1,4-Diethynylbenzene935-14-852 % similar 1,2-Di(pyridin-4-yl)ethyne73564-69-948 % similar 3-Ethynylpyridine2510-23-846 % similar Phenylacetylene536-74-346 % similar 4-Cyanopyridine100-48-142 % similar 4-Bromopyridine hydrochloride19524-06-242 % similar 4-Fluoropyridine hydrochloride39160-31-142 % similar 4-Chloropyridine hydrochloride7379-35-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook