2-(4-bromophenyl)sulfanylpyridine

C11H8BrNS — CID 13058732

IUPAC2-(4-bromophenyl)sulfanylpyridine
SMILESBrc1ccc(Sc2ccccn2)cc1
InChIInChI=1S/C11H8BrNS/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h1-8H
InChIKeyZVHACROIFZRJON-UHFFFAOYSA-N
MW266.16 g/mol
LogP4.00
Rot. Bonds2

About 2-(4-bromophenyl)sulfanylpyridine

2-(4-bromophenyl)sulfanylpyridine (PubChem CID 13058732) has the molecular formula C11H8BrNS and a molecular weight of 266.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanylpyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanylpyridine
PubChem CID13058732
Molecular FormulaC11H8BrNS
Molecular Weight266.16 g/mol
Exact Mass264.96
IUPAC Name2-(4-bromophenyl)sulfanylpyridine
SMILESBrc1ccc(Sc2ccccn2)cc1
InChIInChI=1S/C11H8BrNS/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h1-8H
InChIKeyZVHACROIFZRJON-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanylpyridine?
The IUPAC name of 2-(4-bromophenyl)sulfanylpyridine (CID 13058732) is 2-(4-bromophenyl)sulfanylpyridine.
What is the SMILES notation for 2-(4-bromophenyl)sulfanylpyridine?
The canonical SMILES for 2-(4-bromophenyl)sulfanylpyridine is Brc1ccc(Sc2ccccn2)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanylpyridine?
The InChIKey is ZVHACROIFZRJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNS/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h1-8H.
What are the key properties of 2-(4-bromophenyl)sulfanylpyridine?
2-(4-bromophenyl)sulfanylpyridine has a molecular weight of 266.16 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanylpyridine is sourced from PubChem (CID 13058732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).