chempirical

[2,2′-Bipyridine]-5,5′-dicarbonitrile

C12H6N4CAS 1802-29-5206.21 g/mol

Open in Covalent MOL file
NNNN
Nitrile

Properties

Molecular formula
C12H6N4
Molar mass
206.21 g/mol
Exact mass
206.0592 Da
Melting point
272–273 °C
logP
1.89Crippen estimate
Polar surface area
73.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
1802-29-5
SMILES
N#Cc1ccc(-c2ccc(C#N)cn2)nc1
InChIKey
HFGASMNBMUOCGQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H6N4/c13-5-9-1-3-11(15-7-9)12-4-2-10(6-14)8-16-12/h1-4,7-8H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 6,6′-Binicotinonitrile
  • 5,5′-Dicyano-2,2′-bipyridine
  • [2,2′-Bipyridinyl]-5,5′-dicarbonitrile

Work with [2,2′-Bipyridine]-5,5′-dicarbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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