2,6-Dichloro-5-fluoronicotinoyl chloride

C₆HCl₃FNOCAS 96568-02-4228.43 g/mol

Open in Covalent MOL file

Acyl halide Aryl 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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

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

Weigh it out

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

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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