6,6'-Dicyano-2,2'-bipyridyl

C₁₂H₆N₄CAS 4411-83-0206.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₆N₄
Molar mass: 206.21 g/mol
Exact mass: 206.0592 Da
logP: 1.89Crippen estimate
Polar surface area: 73.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled100% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

4411-83-0

SMILES

C1=CC(=NC(=C1)C2=CC=CC(=N2)C#N)C#N

InChIKey

KTYGOEZHIBSNMW-UHFFFAOYSA-N

InChI

InChI=1S/C12H6N4/c13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12/h1-6H

Weigh it out

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

Names and synonyms

1 names

6,6'-Dicyano-2,2'-bipyridine

Work with 6,6'-Dicyano-2,2'-bipyridyl

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

Similar compounds

2,6-Pyridinedicarbonitrile2893-33-676 % similar 6-Bromopyridine-2-carbonitrile122918-25-662 % similar 6-Chloro-2-pyridinecarbonitrile33252-29-862 % similar 6-Methylpyridine-2-carbonitrile1620-75-359 % similar 2-Pyridinecarbonitrile,6-amino-(9ci)370556-44-859 % similar 6-Chloromethyl-2-cyanopyridine135450-23-653 % similar 2-Cyanopyridine100-70-950 % similar 2-Quinolinecarbonitrile1436-43-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

[2,2′-Bipyridine]-5,5′-dicarbonitrile1802-29-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook