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Home Other Building Blocks Pyridine, 2,5-diethynyl-

Pyridine, 2,5-diethynyl-

CAS No.:
137000-75-0
Catalog Number:
AG0012OT
Molecular Formula:
C9H5N
Molecular Weight:
127.1427
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Product Description
Catalog Number:
AG0012OT
Chemical Name:
Pyridine, 2,5-diethynyl-
CAS Number:
137000-75-0
Molecular Formula:
C9H5N
Molecular Weight:
127.1427
MDL Number:
MFCD11109672
IUPAC Name:
2,5-diethynylpyridine
InChI:
InChI=1S/C9H5N/c1-3-8-5-6-9(4-2)10-7-8/h1-2,5-7H
InChI Key:
XTNNSWWCUMBUHY-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cn1)C#C
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.042g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.146g/mol
Monoisotopic Mass:
127.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
One, two and three-dimensional organometallic networks constructed from silver(i) pyridyldiethynide complexes. Dalton transactions (Cambridge, England : 2003) 20091007
Two contrasting ethynyl hydroboration pathways in the formation of a novel tris-hydroboration product from reaction of dimesitylborane with 2,5-diethynylpyridine. Chemical communications (Cambridge, England) 20040321
Properties