2-(3-chloropropylsulfinyl)pyridine

C8H10ClNOS — CID 20509824

IUPAC2-(3-chloropropylsulfinyl)pyridine
SMILESO=S(CCCCl)c1ccccn1
InChIInChI=1S/C8H10ClNOS/c9-5-3-7-12(11)8-4-1-2-6-10-8/h1-2,4,6H,3,5,7H2
InChIKeyLEZXYWNKBGQRIC-UHFFFAOYSA-N
MW203.69 g/mol
LogP1.82
Rot. Bonds4

About 2-(3-chloropropylsulfinyl)pyridine

2-(3-chloropropylsulfinyl)pyridine (PubChem CID 20509824) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 2-(3-chloropropylsulfinyl)pyridine.

Molecular Properties

Compound Name2-(3-chloropropylsulfinyl)pyridine
PubChem CID20509824
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name2-(3-chloropropylsulfinyl)pyridine
SMILESO=S(CCCCl)c1ccccn1
InChIInChI=1S/C8H10ClNOS/c9-5-3-7-12(11)8-4-1-2-6-10-8/h1-2,4,6H,3,5,7H2
InChIKeyLEZXYWNKBGQRIC-UHFFFAOYSA-N
XLogP1.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropylsulfinyl)pyridine?
The IUPAC name of 2-(3-chloropropylsulfinyl)pyridine (CID 20509824) is 2-(3-chloropropylsulfinyl)pyridine.
What is the SMILES notation for 2-(3-chloropropylsulfinyl)pyridine?
The canonical SMILES for 2-(3-chloropropylsulfinyl)pyridine is O=S(CCCCl)c1ccccn1.
What is the InChIKey of 2-(3-chloropropylsulfinyl)pyridine?
The InChIKey is LEZXYWNKBGQRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c9-5-3-7-12(11)8-4-1-2-6-10-8/h1-2,4,6H,3,5,7H2.
What are the key properties of 2-(3-chloropropylsulfinyl)pyridine?
2-(3-chloropropylsulfinyl)pyridine has a molecular weight of 203.69 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropylsulfinyl)pyridine is sourced from PubChem (CID 20509824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).