2-Difluoromethanesulfonylpyridine

C6H5F2NO2SCAS 1219454-89-3193.17 g/mol

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NSOOFF
Alkyl halideSulfone

Properties

Molecular formula
C6H5F2NO2S
Molar mass
193.17 g/mol
Exact mass
193.0009 Da
logP
1.08Crippen estimate
Polar surface area
47.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501

Identifiers

CAS number
1219454-89-3
SMILES
C1=CC=NC(=C1)S(=O)(=O)C(F)F
InChIKey
YRQNSTAWTLXCEZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5F2NO2S/c7-6(8)12(10,11)5-3-1-2-4-9-5/h1-4,6H

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Names and synonyms

1 names
  • Difluoromethyl 2-pyridyl sulfone

Work with 2-Difluoromethanesulfonylpyridine

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

Pyridine-2-sulfonyl fluoride878376-35-353 % similar Difluoromethyl phenyl sulfone1535-65-552 % similar Fluoromethyl 2-pyridyl sulfone1365765-53-249 % similar Pyridine-2-sulfonic acid15103-48-748 % similar Pyridine-2-sulfonyl chloride66715-65-948 % similar 2-Pyridyl tribromomethyl sulfone59626-33-444 % similar 2-Pyridinesulfonylacetonitrile170449-34-042 % similar 2-Fluoropyridine372-48-534 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Difluorobenzenesulfonamide108966-71-8 2,5-Difluorobenzenesulfonamide120022-63-1 2,4-Difluorobenzenesulfonamide13656-60-5 3,5-Difluorobenzenesulfonamide140480-89-3 2,6-Difluorobenzenesulfonamide60230-37-7

Elsewhere

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