2-chloro-6-(2-piperidin-1-ylethylsulfinyl)pyridine

C12H17ClN2OS — CID 110175665

IUPAC2-chloro-6-(2-piperidin-1-ylethylsulfinyl)pyridine
SMILESO=S(CCN1CCCCC1)c1cccc(Cl)n1
InChIInChI=1S/C12H17ClN2OS/c13-11-5-4-6-12(14-11)17(16)10-9-15-7-2-1-3-8-15/h4-6H,1-3,7-10H2
InChIKeyNKJBNDGJGMMZAO-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.33
Rot. Bonds4

About 2-chloro-6-(2-piperidin-1-ylethylsulfinyl)pyridine

2-chloro-6-(2-piperidin-1-ylethylsulfinyl)pyridine (PubChem CID 110175665) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-chloro-6-(2-piperidin-1-ylethylsulfinyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(2-piperidin-1-ylethylsulfinyl)pyridine
PubChem CID110175665
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name2-chloro-6-(2-piperidin-1-ylethylsulfinyl)pyridine
SMILESO=S(CCN1CCCCC1)c1cccc(Cl)n1
InChIInChI=1S/C12H17ClN2OS/c13-11-5-4-6-12(14-11)17(16)10-9-15-7-2-1-3-8-15/h4-6H,1-3,7-10H2
InChIKeyNKJBNDGJGMMZAO-UHFFFAOYSA-N
XLogP2.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-6-(2-piperidin-1-ylethylsulfinyl)pyridine?
The IUPAC name of 2-chloro-6-(2-piperidin-1-ylethylsulfinyl)pyridine (CID 110175665) is 2-chloro-6-(2-piperidin-1-ylethylsulfinyl)pyridine.
What is the SMILES notation for 2-chloro-6-(2-piperidin-1-ylethylsulfinyl)pyridine?
The canonical SMILES for 2-chloro-6-(2-piperidin-1-ylethylsulfinyl)pyridine is O=S(CCN1CCCCC1)c1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-piperidin-1-ylethylsulfinyl)pyridine?
The InChIKey is NKJBNDGJGMMZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c13-11-5-4-6-12(14-11)17(16)10-9-15-7-2-1-3-8-15/h4-6H,1-3,7-10H2.
What are the key properties of 2-chloro-6-(2-piperidin-1-ylethylsulfinyl)pyridine?
2-chloro-6-(2-piperidin-1-ylethylsulfinyl)pyridine has a molecular weight of 272.80 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-piperidin-1-ylethylsulfinyl)pyridine is sourced from PubChem (CID 110175665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).