Home Halogens 3,5-Pyridinedicarbonitrile, 2,6-dichloro-

3,5-Pyridinedicarbonitrile, 2,6-dichloro-

CAS No.:
151229-84-4
Catalog Number:
AG001N6D
Molecular Formula:
C7HCl2N3
Molecular Weight:
198.0089
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Product Description
Catalog Number:
AG001N6D
Chemical Name:
3,5-Pyridinedicarbonitrile, 2,6-dichloro-
CAS Number:
151229-84-4
Molecular Formula:
C7HCl2N3
Molecular Weight:
198.0089
IUPAC Name:
2,6-dichloropyridine-3,5-dicarbonitrile
InChI:
InChI=1S/C7HCl2N3/c8-6-4(2-10)1-5(3-11)7(9)12-6/h1H
InChI Key:
JWVLIQKMDXWUFT-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C#N)c(nc1Cl)Cl
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.955g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.006g/mol
Monoisotopic Mass:
196.955g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Synthesis, biological assessment and molecular modeling of new multipotent MAO and cholinesterase inhibitors as potential drugs for the treatment of Alzheimer's disease. European journal of medicinal chemistry 20110901
2,6-Dichloro-pyridine-3,5-dicarbonitrile. Acta crystallographica. Section E, Structure reports online 20101001
Properties