3-Ethynylpyridine

C7H5NCAS 2510-23-8103.12 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
34–35 °C
Boiling point
87 °C (at 30 Torr)
logP
1.06Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number
2510-23-8
SMILES
C#Cc1cccnc1
InChIKey
CLRPXACRDTXENY-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N/c1-2-7-4-3-5-8-6-7/h1,3-6H

Weigh it out

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

Names and synonyms

5 names
  • Pyridine, 3-ethynyl-
  • 3-Pyridylacetylene
  • 3-Pyridylethyne
  • 3-Pyridinylacetylene
  • 3-Pyridinylethyne

Work with 3-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

Nicotinonitrile100-54-956 % similar Phenylacetylene536-74-350 % similar 1,3-Diethynylbenzene1785-61-148 % similar 3-(Trimethylsilylethynyl)pyridine80673-00-347 % similar 4-Ethynylpyridine hydrochloride352530-29-146 % similar 1,4-Diethynylbenzene935-14-843 % similar 3-Fluoropyridine372-47-441 % similar 1-Ethynyl-3-fluorobenzene2561-17-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzonitrile100-47-0 2-Ethynylpyridine1945-84-2 4-Ethynylpyridine2510-22-7 Isocyanobenzene931-54-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook