4-Ethynylpyridine

C₇H₅NCAS 2510-22-7103.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅N
Molar mass: 103.12 g/mol
Exact mass: 103.0422 Da
logP: 1.06Crippen 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 irritation97.6% of notifiers

Aggregated from 42 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

2510-22-7

SMILES

C#CC1=CC=NC=C1

InChIKey

FDEDJRHULYIJOR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-Ethynylpyridine

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-Ethynylpyridine hydrochloride352530-29-1Salt

Similar compounds

1,4-Diethynylbenzene935-14-861 % similar 1,2-Di(pyridin-4-yl)ethyne73564-69-955 % similar Phenylacetylene536-74-352 % similar 4-Cyanopyridine100-48-148 % similar 4-Ethynylaniline14235-81-546 % similar Tris(4-ethynylphenyl)amine189178-09-446 % similar 4-Bromophenylacetylene766-96-146 % similar 4-Methylphenylacetylene766-97-246 % similar

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

Same formula

Benzonitrile100-47-0 2-Ethynylpyridine1945-84-2 3-Ethynylpyridine2510-23-8 Isocyanobenzene931-54-4

Elsewhere

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