CAS 151229-84-4 | 3,5-Pyridinedicarbonitrile, 2,6-dichloro- | CAS Number 151229-84-4

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151229-84-4 | 3,5-Pyridinedicarbonitrile, 2,6-dichloro-

CAS No: 151229-84-4 Catalog No: AG001N6D MDL No:

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.955g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.006g/mol

Monoisotopic Mass:

196.955g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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