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5,5'-Diethynyl-2,2'-bipyridine

CAT: 0127-OR1006455Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR1006455Size:1 Each
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CAS Number
162318-26-5
Purity
96%
Smiles
C#CC1=CN=C(C2=NC=C(C#C)C=C2)C=C1

Chemical Information

5,5'-Diethynyl-2,2'-bipyridine

structure in first source

CAS Number162318-26-5
PubChem CID15811458
IUPAC Name5-ethynyl-2-(5-ethynyl-2-pyridinyl)pyridine
Molecular FormulaC14H8N2
Molecular Weight204.23
XLogP2
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity295
SMILES
C#CC1=CN=C(C=C1)C2=NC=C(C=C2)C#C
InChI
InChI=1S/C14H8N2/c1-3-11-5-7-13(15-9-11)14-8-6-12(4-2)10-16-14/h1-2,5-10H
InChIKey
WHWUWIBHXHJDHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,5'-Diethynyl-2,2'-bipyridine
CAS: 162318-26-5
CID: 15811458
Formula: C14H8N2
MW: 204.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.23
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass204.068748264
Monoisotopic Mass204.068748264
Topological Polar Surface Area25.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity295
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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437127-015,5'-Dibromo-2,2'-bipyridine
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4345855- (Chloromethyl) -2,2'-bipyridine
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