chempirical

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

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

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

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-Pyridone142-08-542 % similar 2-Pyridinol72762-00-642 % similar 2,2′-Bipyridine366-18-742 % similar 2-Pyridyl ketone19437-26-438 % similar N-Phenyl-2-pyrimidinamine57356-49-738 % similar 2-Bromopyridine109-04-637 % similar 2-Methylpyridine109-06-837 % similar 2-Chloropyridine109-09-137 % similar

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

Same formula

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook