5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine

C11H6BrCl2NS — CID 163687484

IUPAC5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine
SMILESClc1ccc(Sc2ccc(Br)cn2)c(Cl)c1
InChIInChI=1S/C11H6BrCl2NS/c12-7-1-4-11(15-6-7)16-10-3-2-8(13)5-9(10)14/h1-6H
InChIKeyJQCCPNLIHIWXTO-UHFFFAOYSA-N
MW335.05 g/mol
LogP5.30
Rot. Bonds2

About 5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine

5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine (PubChem CID 163687484) has the molecular formula C11H6BrCl2NS and a molecular weight of 335.05 g/mol. Its IUPAC name is 5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine.

Molecular Properties

Compound Name5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine
PubChem CID163687484
Molecular FormulaC11H6BrCl2NS
Molecular Weight335.05 g/mol
Exact Mass332.88
IUPAC Name5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine
SMILESClc1ccc(Sc2ccc(Br)cn2)c(Cl)c1
InChIInChI=1S/C11H6BrCl2NS/c12-7-1-4-11(15-6-7)16-10-3-2-8(13)5-9(10)14/h1-6H
InChIKeyJQCCPNLIHIWXTO-UHFFFAOYSA-N
XLogP5.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.05
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine?
The IUPAC name of 5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine (CID 163687484) is 5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine.
What is the SMILES notation for 5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine?
The canonical SMILES for 5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine is Clc1ccc(Sc2ccc(Br)cn2)c(Cl)c1.
What is the InChIKey of 5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine?
The InChIKey is JQCCPNLIHIWXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2NS/c12-7-1-4-11(15-6-7)16-10-3-2-8(13)5-9(10)14/h1-6H.
What are the key properties of 5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine?
5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine has a molecular weight of 335.05 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine is sourced from PubChem (CID 163687484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).