chempirical

2-[(Tribromomethyl)sulfonyl]pyridine

C6H4Br3NO2SCAS 59626-33-4393.88 g/mol

Open in Covalent MOL file
OSONBrBrBr
Alkyl halideSulfone

Properties

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

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

4 names
  • Pyridine, 2-[(tribromomethyl)sulfonyl]-
  • BSP
  • 2-Tribromomethanesulfonylpyridine
  • 2-(Tribromomethanesulfonyl)pyridine

Work with 2-[(Tribromomethyl)sulfonyl]pyridine

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 2-Difluoromethanesulfonylpyridine1219454-89-344 % similar 2-Bromopyridine109-04-634 % similar 2,2′-Bipyridine366-18-733 % similar 2-Pyridineethanesulfonic acid68922-18-933 % similar 2-Benzoylpyridine91-02-132 % similar Pyridine-2-carbaldehyde1121-60-431 % similar 2-Pyridyl ketone19437-26-431 % similar

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

Elsewhere

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