2-Pyridyl tribromomethyl sulfone

C₆H₄Br₃NO₂SCAS 59626-33-4393.88 g/mol

Open in Covalent MOL file

Alkyl halide Sulfone

Properties

Molecular formula: C₆H₄Br₃NO₂S
Molar mass: 393.88 g/mol
Exact mass: 390.7513 Da
logP: 2.65Crippen estimate
Polar surface area: 47.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

59626-33-4

SMILES

O=S(=O)(c1ccccn1)C(Br)(Br)Br

InChIKey

FRCQMXHPNJVPJC-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Br3NO2S/c7-6(8,9)13(11,12)5-3-1-2-4-10-5/h1-4H

Weigh it out

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Names and synonyms

5 names

2-[(Tribromomethyl)sulfonyl]pyridine
Pyridine, 2-[(tribromomethyl)sulfonyl]-
BSP
2-Tribromomethanesulfonylpyridine
2-(Tribromomethanesulfonyl)pyridine

Work with 2-Pyridyl tribromomethyl sulfone

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

Tribromomethyl phenyl sulfone17025-47-752 % similar Pyridine-2-sulfonic acid15103-48-748 % similar Pyridine-2-sulfonyl chloride66715-65-948 % similar Pyridine-2-sulfonyl fluoride878376-35-348 % similar 2-Difluoromethanesulfonylpyridine1219454-89-344 % similar Fluoromethyl 2-pyridyl sulfone1365765-53-244 % similar 2-Pyridinesulfonylacetonitrile170449-34-042 % similar 2-Bromopyridine109-04-634 % similar

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

Elsewhere

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