6,6'-Diethynyl-2,2'-bipyridine

Inquiry

Molecular Formula:

C14H8N2

Molecular Weight:

204.23

CAS Number:

133810-42-1

Catalog Number:

133810-42-1

Product Information

Molecular Formula:

C14H8N2

Molecular Weight:

204.23

IUPAC Name

2-ethynyl-6-(6-ethynylpyridin-2-yl)pyridine

Canonical 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

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

204.068748264

Monoisotopic Mass

204.068748264

Topological Polar Surface Area

25.8

Heavy Atom Count

Formal Charge

Complexity

295

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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The dilution calculator equation

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6,6'-Diethynyl-2,2'-bipyridine

Product Information

Computed Properties

Literatures

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