(2Z,6Z)-N'2,N'6-Dicyanopyridine-2,6-bis(carboximidamide)

Product Information

Molecular Formula:
C9H7N7
Molecular Weight:
213.20
Description
This pyridyl carboxamidine ligand has been demonstrated by Daniel Weix's lab to enable nickel-catalyzed cross-coupling of diverse basic nitrogen heterocycles with primary and secondary alkyl halides.
Synonyms
Weix 2-pyridyl-N-cyanocarboxamidine ligand for nickel catalysis
IUPAC Name
2-N',6-N'-dicyanopyridine-2,6-dicarboximidamide
Canonical SMILES
C1=CC(=NC(=C1)C(=NC#N)N)C(=NC#N)N
InChI
InChI=1S/C9H7N7/c10-4-14-8(12)6-2-1-3-7(16-6)9(13)15-5-11/h1-3H,(H2,12,14)(H2,13,15)
InChI Key
NFCPGRIKBAMXHQ-UHFFFAOYSA-N
Melting Point
>300 °C
Flash Point
Not applicable

Computed Properties

XLogP3
-0.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
213.07629325 g/mol
Monoisotopic Mass
213.07629325 g/mol
Topological Polar Surface Area
137Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
366
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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