C#CC1=CN=CC=C1
CAS: 121697-66-3
Name: 3-ethynylpyridine
SMILES: C#CC1=CN=CC=C1

Molecular Processing

Molecular formula
C7H5N
Molecular weight
103.12
Exact mass
103.0422
XLogP
1.06
TPSA
12.89
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0
Molar refractivity
32.17

Supplementary Information

InChIKey: CLRPXACRDTXENY-UHFFFAOYSA-N
Synonyme
3-ethynylpyridinepyridine, 3-ethynyl-121697-66-3DTXSID70947958RefChem:93886DTXCID401376206628-508-3838-945-3InChI=1/C7H5N/c1-2-7-4-3-5-8-6-7/h1,3-62510-23-83-PyridylacetyleneMFCD021774593-ethynyl-pyridineCHEMBL3946303-Pyridinylacetylene; 3-Pyridylacetylene; 3-Pyridylethyne3-ethynyl pyridinemeta-ethynylpyridine3-pyridyl acetylene3-(ethynyl)pyridinepyridin-3-ylacetylene3-Ethynylpyridine, 98%SCHEMBL8840SCHEMBL207319SCHEMBL207859SCHEMBL443665orb2939957SCHEMBL1200559SCHEMBL16288828SCHEMBL29652089BDBM50622790
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