chempirical

2,6-Dichloro-5-fluoronicotinoyl chloride

C6HCl3FNOCAS 96568-02-4228.43 g/mol

Open in Covalent MOL file
NFClClOCl
Acyl halideAryl halide

Properties

Molecular formula
C6HCl3FNO
Molar mass
228.43 g/mol
Exact mass
226.9108 Da
logP
2.91Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
96568-02-4
SMILES
C1=C(C(=NC(=C1F)Cl)Cl)C(=O)Cl
InChIKey
AATVXELAYCLVTJ-UHFFFAOYSA-N
InChI
InChI=1S/C6HCl3FNO/c7-4-2(6(9)12)1-3(10)5(8)11-4/h1H

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Names and synonyms

1 names
  • 2,6-Dichloro-5-fluoro-3-pyridinecarbonyl chloride

Work with 2,6-Dichloro-5-fluoronicotinoyl chloride

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-Dichloro-5-fluoronicotinamide113237-20-063 % similar 2,6-Dichloro-5-fluoronicotinic acid82671-06-563 % similar 2,6-Dichloro-5-fluoronicotinic acid8271-06-563 % similar 2,4,5-Trifluorobenzoyl chloride88419-56-156 % similar 4-Chloro-2,5-difluorobenzoyl chloride132794-08-254 % similar 2,4-Dichloro-5-fluorobenzoyl chloride86393-34-254 % similar 2,3,4,5-Tetrafluorobenzoyl chloride94695-48-451 % similar 2,4-Dichloropyrimidine-5-carbonyl chloride2972-52-350 % similar

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

Elsewhere

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