Home Pyridines 1133116-47-8
1133116-47-8,MFCD11855996
Catalog No.:AA003I9O
1133116-47-8 | 3,3'-Bipyridine-6,6'-dicarbonitrile
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Technical Information
Catalog Number:
AA003I9O
Chemical Name:
3,3'-Bipyridine-6,6'-dicarbonitrile
CAS Number:
1133116-47-8
Molecular Formula:
C12H6N4
Molecular Weight:
206.2028
MDL Number:
MFCD11855996
IUPAC Name:
5-(6-cyanopyridin-3-yl)pyridine-2-carbonitrile
InChI:
InChI=1S/C12H6N4/c13-5-11-3-1-9(7-15-11)10-2-4-12(6-14)16-8-10/h1-4,7-8H
InChI Key:
FCUUPEZTURQMQH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cn1)c1ccc(nc1)C#N
Properties
Computed Properties
 
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.059g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.208g/mol
Monoisotopic Mass:
206.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
3,3'-BIPYRIDINE-6,6'-DICARBONITRILE 
1133116-47-8 
RTR-002591 
[3,3'-Bipyridine]-6,6'-dicarbonitrile 
TR-002591 
Z7472 
A-5024 
I02-3520 
C12H6N4 
ACMC-2099ji 
CTK4A8257 
DTXSID80675018 
3,3-bipyridine-6,6-dicarbonitrile 
ANW-16636 
MFCD11855996 
ZINC38537478 
AKOS015854741 
Literature
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