2-(benzenesulfinyl)-6-bromopyridine

C11H8BrNOS — CID 86679095

IUPAC2-(benzenesulfinyl)-6-bromopyridine
SMILESO=S(c1ccccc1)c1cccc(Br)n1
InChIInChI=1S/C11H8BrNOS/c12-10-7-4-8-11(13-10)15(14)9-5-2-1-3-6-9/h1-8H
InChIKeyLFFLRVJQBMXQGG-UHFFFAOYSA-N
MW282.16 g/mol
LogP3.01
Rot. Bonds2

About 2-(benzenesulfinyl)-6-bromopyridine

2-(benzenesulfinyl)-6-bromopyridine (PubChem CID 86679095) has the molecular formula C11H8BrNOS and a molecular weight of 282.16 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-6-bromopyridine.

Molecular Properties

Compound Name2-(benzenesulfinyl)-6-bromopyridine
PubChem CID86679095
Molecular FormulaC11H8BrNOS
Molecular Weight282.16 g/mol
Exact Mass280.95
IUPAC Name2-(benzenesulfinyl)-6-bromopyridine
SMILESO=S(c1ccccc1)c1cccc(Br)n1
InChIInChI=1S/C11H8BrNOS/c12-10-7-4-8-11(13-10)15(14)9-5-2-1-3-6-9/h1-8H
InChIKeyLFFLRVJQBMXQGG-UHFFFAOYSA-N
XLogP3.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 53.01
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-(benzenesulfinyl)-6-bromopyridine?
The IUPAC name of 2-(benzenesulfinyl)-6-bromopyridine (CID 86679095) is 2-(benzenesulfinyl)-6-bromopyridine.
What is the SMILES notation for 2-(benzenesulfinyl)-6-bromopyridine?
The canonical SMILES for 2-(benzenesulfinyl)-6-bromopyridine is O=S(c1ccccc1)c1cccc(Br)n1.
What is the InChIKey of 2-(benzenesulfinyl)-6-bromopyridine?
The InChIKey is LFFLRVJQBMXQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNOS/c12-10-7-4-8-11(13-10)15(14)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 2-(benzenesulfinyl)-6-bromopyridine?
2-(benzenesulfinyl)-6-bromopyridine has a molecular weight of 282.16 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-6-bromopyridine is sourced from PubChem (CID 86679095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).