6,6'-Diethynyl-2,2'-bipyridine
Product Information
Molecular Formula
C14H8N2
Molecular Weight
204.23
IUPAC Name
2-ethynyl-6-(6-ethynylpyridin-2-yl)pyridine
SMILES
C#CC1=NC(=CC=C1)C2=CC=CC(=N2)C#C
InChI
InChI=1S/C14H8N2/c1-3-11-7-5-9-13(15-11)14-10-6-8-12(4-2)16-14/h1-2,5-10H
InChI Key
TVPOVKRNRYCPCX-UHFFFAOYSA-N
Purity
98%
Computed Properties
XLogP3
2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
204.068748264
Monoisotopic Mass
204.068748264
Topological Polar Surface Area
25.8
Heavy Atom Count
16
Formal Charge
0
Complexity
295
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 15058955 | 2004-03-19 | Convenient and efficient synthesis of functionalized oligopyridine ligands bearing accessory pyrromethene-BF2 fluorophores | The Journal of organic chemistry |