chempirical

2,5,6-Trichloronicotinonitrile

C6HCl3N2CAS 40381-92-8207.44 g/mol

Open in Covalent MOL file
NClClClN
Aryl halideNitrile

Properties

Molecular formula
C6HCl3N2
Molar mass
207.44 g/mol
Exact mass
205.9205 Da
logP
2.91Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
40381-92-8
SMILES
C1=C(C(=NC(=C1Cl)Cl)Cl)C#N
InChIKey
FXYJHWZGUONOAL-UHFFFAOYSA-N
InChI
InChI=1S/C6HCl3N2/c7-4-1-3(2-10)5(8)11-6(4)9/h1H

Weigh it out

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

Names and synonyms

1 names
  • 2,5,6-Trichloro-3-pyridinecarbonitrile

Work with 2,5,6-Trichloronicotinonitrile

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

4,5-Dichlorophthalonitrile139152-08-258 % similar 2,3,5,6-Tetrachloropyridine2402-79-156 % similar 2,4-Dichloro-5-cyanopyrimidine3177-24-050 % similar 2,6-Dichloropyridine-3-carbonitrile40381-90-650 % similar 2,3,4,5-Tetrachlorobenzonitrile36245-95-148 % similar 2-Chlorobenzonitrile873-32-548 % similar 2-Chloro-6-methyl-3-pyridinecarbonitrile28900-10-947 % similar 5-Bromo-2-chloro-3-pyridinecarbonitrile405224-23-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook