2-(benzenesulfinyl)pyridine

C11H9NOS — CID 11840694

IUPAC2-(benzenesulfinyl)pyridine
SMILESO=S(c1ccccc1)c1ccccn1
InChIInChI=1S/C11H9NOS/c13-14(10-6-2-1-3-7-10)11-8-4-5-9-12-11/h1-9H
InChIKeyFVKSIMVGYRWVRD-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.25
Rot. Bonds2

About 2-(benzenesulfinyl)pyridine

2-(benzenesulfinyl)pyridine (PubChem CID 11840694) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-(benzenesulfinyl)pyridine.

Molecular Properties

Compound Name2-(benzenesulfinyl)pyridine
PubChem CID11840694
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name2-(benzenesulfinyl)pyridine
SMILESO=S(c1ccccc1)c1ccccn1
InChIInChI=1S/C11H9NOS/c13-14(10-6-2-1-3-7-10)11-8-4-5-9-12-11/h1-9H
InChIKeyFVKSIMVGYRWVRD-UHFFFAOYSA-N
XLogP2.25
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)pyridine?
The IUPAC name of 2-(benzenesulfinyl)pyridine (CID 11840694) is 2-(benzenesulfinyl)pyridine.
What is the SMILES notation for 2-(benzenesulfinyl)pyridine?
The canonical SMILES for 2-(benzenesulfinyl)pyridine is O=S(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-(benzenesulfinyl)pyridine?
The InChIKey is FVKSIMVGYRWVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c13-14(10-6-2-1-3-7-10)11-8-4-5-9-12-11/h1-9H.
What are the key properties of 2-(benzenesulfinyl)pyridine?
2-(benzenesulfinyl)pyridine has a molecular weight of 203.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)pyridine is sourced from PubChem (CID 11840694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).