2-bromo-6-phenylsulfanylpyridine

C11H8BrNS — CID 824591

IUPAC2-bromo-6-phenylsulfanylpyridine
SMILESBrc1cccc(Sc2ccccc2)n1
InChIInChI=1S/C11H8BrNS/c12-10-7-4-8-11(13-10)14-9-5-2-1-3-6-9/h1-8H
InChIKeyGXCVCXCIVJREKE-UHFFFAOYSA-N
MW266.16 g/mol
LogP4.00
Rot. Bonds2

About 2-bromo-6-phenylsulfanylpyridine

2-bromo-6-phenylsulfanylpyridine (PubChem CID 824591) has the molecular formula C11H8BrNS and a molecular weight of 266.16 g/mol. Its IUPAC name is 2-bromo-6-phenylsulfanylpyridine.

Molecular Properties

Compound Name2-bromo-6-phenylsulfanylpyridine
PubChem CID824591
Molecular FormulaC11H8BrNS
Molecular Weight266.16 g/mol
Exact Mass264.96
IUPAC Name2-bromo-6-phenylsulfanylpyridine
SMILESBrc1cccc(Sc2ccccc2)n1
InChIInChI=1S/C11H8BrNS/c12-10-7-4-8-11(13-10)14-9-5-2-1-3-6-9/h1-8H
InChIKeyGXCVCXCIVJREKE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-phenylsulfanylpyridine?
The IUPAC name of 2-bromo-6-phenylsulfanylpyridine (CID 824591) is 2-bromo-6-phenylsulfanylpyridine.
What is the SMILES notation for 2-bromo-6-phenylsulfanylpyridine?
The canonical SMILES for 2-bromo-6-phenylsulfanylpyridine is Brc1cccc(Sc2ccccc2)n1.
What is the InChIKey of 2-bromo-6-phenylsulfanylpyridine?
The InChIKey is GXCVCXCIVJREKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNS/c12-10-7-4-8-11(13-10)14-9-5-2-1-3-6-9/h1-8H.
What are the key properties of 2-bromo-6-phenylsulfanylpyridine?
2-bromo-6-phenylsulfanylpyridine 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-bromo-6-phenylsulfanylpyridine is sourced from PubChem (CID 824591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).