3-bromo-5-chloro-2-ethenylsulfonylpyridine

C7H5BrClNO2S — CID 114836227

IUPAC3-bromo-5-chloro-2-ethenylsulfonylpyridine
SMILESC=CS(=O)(=O)c1ncc(Cl)cc1Br
InChIInChI=1S/C7H5BrClNO2S/c1-2-13(11,12)7-6(8)3-5(9)4-10-7/h2-4H,1H2
InChIKeyCTYVKPVXWNPMMY-UHFFFAOYSA-N
MW282.55 g/mol
LogP2.41
Rot. Bonds2

About 3-bromo-5-chloro-2-ethenylsulfonylpyridine

3-bromo-5-chloro-2-ethenylsulfonylpyridine (PubChem CID 114836227) has the molecular formula C7H5BrClNO2S and a molecular weight of 282.55 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-ethenylsulfonylpyridine.

Molecular Properties

Compound Name3-bromo-5-chloro-2-ethenylsulfonylpyridine
PubChem CID114836227
Molecular FormulaC7H5BrClNO2S
Molecular Weight282.55 g/mol
Exact Mass280.89
IUPAC Name3-bromo-5-chloro-2-ethenylsulfonylpyridine
SMILESC=CS(=O)(=O)c1ncc(Cl)cc1Br
InChIInChI=1S/C7H5BrClNO2S/c1-2-13(11,12)7-6(8)3-5(9)4-10-7/h2-4H,1H2
InChIKeyCTYVKPVXWNPMMY-UHFFFAOYSA-N
XLogP2.41
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.55
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-ethenylsulfonylpyridine?
The IUPAC name of 3-bromo-5-chloro-2-ethenylsulfonylpyridine (CID 114836227) is 3-bromo-5-chloro-2-ethenylsulfonylpyridine.
What is the SMILES notation for 3-bromo-5-chloro-2-ethenylsulfonylpyridine?
The canonical SMILES for 3-bromo-5-chloro-2-ethenylsulfonylpyridine is C=CS(=O)(=O)c1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-2-ethenylsulfonylpyridine?
The InChIKey is CTYVKPVXWNPMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO2S/c1-2-13(11,12)7-6(8)3-5(9)4-10-7/h2-4H,1H2.
What are the key properties of 3-bromo-5-chloro-2-ethenylsulfonylpyridine?
3-bromo-5-chloro-2-ethenylsulfonylpyridine has a molecular weight of 282.55 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-ethenylsulfonylpyridine is sourced from PubChem (CID 114836227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).