2-Ethynylpyridine

C7H5NCAS 1945-84-2103.12 g/mol

Open in Covalent MOL file
N
Alkyne

Properties

Molecular formula
C7H5N
Molar mass
103.12 g/mol
Exact mass
103.0422 Da
Melting point
76–78 °C
Boiling point
86–88 °C (at 14 Torr)
logP
1.06Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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
1945-84-2
SMILES
C#Cc1ccccn1
InChIKey
NHUBNHMFXQNNMV-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N/c1-2-7-5-3-4-6-8-7/h1,3-6H

Weigh it out

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

Names and synonyms

6 names
  • Pyridine, 2-ethynyl-
  • 2-Pyridylacetylene
  • Pyridin-2-ylacetylene
  • 2-Pyridylethyne
  • 2-Pyridinylethyne
  • Ethynylpyridine

Work with 2-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

Similar compounds

2-Cyanopyridine100-70-956 % similar 2-Pyridone142-08-542 % similar 2-Pyridone72762-00-642 % similar 2,2'-Bipyridine366-18-742 % similar Phenylacetylene536-74-340 % similar 2-Vinylpyridine100-69-638 % similar 2-Pyridyl ketone19437-26-438 % similar N-Phenyl-2-pyrimidinamine57356-49-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzonitrile100-47-0 4-Ethynylpyridine2510-22-7 3-Ethynylpyridine2510-23-8 Isocyanobenzene931-54-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook