5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine

C11H6Br2ClNS — CID 103583827

IUPAC5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine
SMILESClc1cc(Br)cnc1Sc1ccccc1Br
InChIInChI=1S/C11H6Br2ClNS/c12-7-5-9(14)11(15-6-7)16-10-4-2-1-3-8(10)13/h1-6H
InChIKeyJUELFRMHKXWSNG-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.41
Rot. Bonds2

About 5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine

5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine (PubChem CID 103583827) has the molecular formula C11H6Br2ClNS and a molecular weight of 379.50 g/mol. Its IUPAC name is 5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine.

Molecular Properties

Compound Name5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine
PubChem CID103583827
Molecular FormulaC11H6Br2ClNS
Molecular Weight379.50 g/mol
Exact Mass376.83
IUPAC Name5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine
SMILESClc1cc(Br)cnc1Sc1ccccc1Br
InChIInChI=1S/C11H6Br2ClNS/c12-7-5-9(14)11(15-6-7)16-10-4-2-1-3-8(10)13/h1-6H
InChIKeyJUELFRMHKXWSNG-UHFFFAOYSA-N
XLogP5.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine?
The IUPAC name of 5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine (CID 103583827) is 5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine.
What is the SMILES notation for 5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine?
The canonical SMILES for 5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine is Clc1cc(Br)cnc1Sc1ccccc1Br.
What is the InChIKey of 5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine?
The InChIKey is JUELFRMHKXWSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2ClNS/c12-7-5-9(14)11(15-6-7)16-10-4-2-1-3-8(10)13/h1-6H.
What are the key properties of 5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine?
5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine has a molecular weight of 379.50 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine is sourced from PubChem (CID 103583827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).