2-bromo-6-(2-bromophenyl)sulfanylpyridine

C11H7Br2NS — CID 63962404

IUPAC2-bromo-6-(2-bromophenyl)sulfanylpyridine
SMILESBrc1cccc(Sc2ccccc2Br)n1
InChIInChI=1S/C11H7Br2NS/c12-8-4-1-2-5-9(8)15-11-7-3-6-10(13)14-11/h1-7H
InChIKeyWYXVERKEGDBLBT-UHFFFAOYSA-N
MW345.06 g/mol
LogP4.76
Rot. Bonds2

About 2-bromo-6-(2-bromophenyl)sulfanylpyridine

2-bromo-6-(2-bromophenyl)sulfanylpyridine (PubChem CID 63962404) has the molecular formula C11H7Br2NS and a molecular weight of 345.06 g/mol. Its IUPAC name is 2-bromo-6-(2-bromophenyl)sulfanylpyridine.

Molecular Properties

Compound Name2-bromo-6-(2-bromophenyl)sulfanylpyridine
PubChem CID63962404
Molecular FormulaC11H7Br2NS
Molecular Weight345.06 g/mol
Exact Mass342.87
IUPAC Name2-bromo-6-(2-bromophenyl)sulfanylpyridine
SMILESBrc1cccc(Sc2ccccc2Br)n1
InChIInChI=1S/C11H7Br2NS/c12-8-4-1-2-5-9(8)15-11-7-3-6-10(13)14-11/h1-7H
InChIKeyWYXVERKEGDBLBT-UHFFFAOYSA-N
XLogP4.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.06
LogP ≤ 54.76
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-(2-bromophenyl)sulfanylpyridine?
The IUPAC name of 2-bromo-6-(2-bromophenyl)sulfanylpyridine (CID 63962404) is 2-bromo-6-(2-bromophenyl)sulfanylpyridine.
What is the SMILES notation for 2-bromo-6-(2-bromophenyl)sulfanylpyridine?
The canonical SMILES for 2-bromo-6-(2-bromophenyl)sulfanylpyridine is Brc1cccc(Sc2ccccc2Br)n1.
What is the InChIKey of 2-bromo-6-(2-bromophenyl)sulfanylpyridine?
The InChIKey is WYXVERKEGDBLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2NS/c12-8-4-1-2-5-9(8)15-11-7-3-6-10(13)14-11/h1-7H.
What are the key properties of 2-bromo-6-(2-bromophenyl)sulfanylpyridine?
2-bromo-6-(2-bromophenyl)sulfanylpyridine has a molecular weight of 345.06 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-bromophenyl)sulfanylpyridine is sourced from PubChem (CID 63962404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).