3-chloro-2-(oxetan-3-ylsulfanyl)pyridine

C8H8ClNOS — CID 130677959

IUPAC3-chloro-2-(oxetan-3-ylsulfanyl)pyridine
SMILESClc1cccnc1SC1COC1
InChIInChI=1S/C8H8ClNOS/c9-7-2-1-3-10-8(7)12-6-4-11-5-6/h1-3,6H,4-5H2
InChIKeyRUYIMSFOBZGIRW-UHFFFAOYSA-N
MW201.68 g/mol
LogP2.23
Rot. Bonds2

About 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine

3-chloro-2-(oxetan-3-ylsulfanyl)pyridine (PubChem CID 130677959) has the molecular formula C8H8ClNOS and a molecular weight of 201.68 g/mol. Its IUPAC name is 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(oxetan-3-ylsulfanyl)pyridine
PubChem CID130677959
Molecular FormulaC8H8ClNOS
Molecular Weight201.68 g/mol
Exact Mass201.00
IUPAC Name3-chloro-2-(oxetan-3-ylsulfanyl)pyridine
SMILESClc1cccnc1SC1COC1
InChIInChI=1S/C8H8ClNOS/c9-7-2-1-3-10-8(7)12-6-4-11-5-6/h1-3,6H,4-5H2
InChIKeyRUYIMSFOBZGIRW-UHFFFAOYSA-N
XLogP2.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine?
The IUPAC name of 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine (CID 130677959) is 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine.
What is the SMILES notation for 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine?
The canonical SMILES for 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine is Clc1cccnc1SC1COC1.
What is the InChIKey of 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine?
The InChIKey is RUYIMSFOBZGIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNOS/c9-7-2-1-3-10-8(7)12-6-4-11-5-6/h1-3,6H,4-5H2.
What are the key properties of 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine?
3-chloro-2-(oxetan-3-ylsulfanyl)pyridine has a molecular weight of 201.68 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine is sourced from PubChem (CID 130677959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).