chempirical

2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile

C6HCl2FN2CAS 82671-02-1190.99 g/mol

Open in Covalent MOL file
NFClClN
Aryl halideNitrile

Properties

Molecular formula
C6HCl2FN2
Molar mass
190.99 g/mol
Exact mass
189.9501 Da
logP
2.40Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
82671-02-1
SMILES
C1=C(C(=NC(=C1F)Cl)Cl)C#N
InChIKey
DEDKKOOGYIMMBC-UHFFFAOYSA-N
InChI
InChI=1S/C6HCl2FN2/c7-5-3(2-10)1-4(9)6(8)11-5/h1H

Weigh it out

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

Work with 2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile

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

2,5,6-Trichloronicotinonitrile40381-92-861 % similar 2-Chloro-4,5-difluorobenzonitrile135748-34-453 % similar 2,4-Dichloro-5-fluorobenzonitrile128593-93-152 % similar 4-Chloro-2,5-difluorobenzonitrile135748-35-552 % similar 2-Chloro-5-fluoronicotinonitrile791644-48-951 % similar 2,4,5-Trifluorobenzonitrile98349-22-550 % similar 5-Chloro-2,4-difluorobenzonitrile146780-26-947 % similar 2,4-Dichloro-5-cyanopyrimidine3177-24-047 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook