N-Cyano-4-methoxy-picolinimidamide

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Molecular Formula:

C8H8N4O

Molecular Weight:

176.18

CAS Number:

1988789-96-3

Catalog Number:

1988789-96-3

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

176.06981089 g/mol

Monoisotopic Mass

176.06981089 g/mol

Topological Polar Surface Area

84.3Å²

Heavy Atom Count

Formal Charge

Complexity

242

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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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N-Cyano-4-methoxy-picolinimidamide

Product Information

Computed Properties

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