N-Cyano-4-methoxy-picolinimidamide

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Product Information

Molecular Formula
C8H8N4O
Molecular Weight
176.18
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 ligand
IUPAC Name
N'-cyano-4-methoxypyridine-2-carboximidamide
SMILES
COC1=CC(=NC=C1)C(=NC#N)N
InChI
InChI=1S/C8H8N4O/c1-13-6-2-3-11-7(4-6)8(10)12-5-9/h2-4H,1H3,(H2,10,12)
InChI Key
LEWHOCRDELQPCV-UHFFFAOYSA-N
Melting Point
220-225 °C
Purity
≥95%

Computed Properties

XLogP3
0.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
176.06981089 g/mol
Monoisotopic Mass
176.06981089 g/mol
Topological Polar Surface Area
84.3Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
242
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)

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The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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