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

C9H10ClNOS — CID 131089908

IUPAC3-chloro-2-(oxolan-3-ylsulfanyl)pyridine
SMILESClc1cccnc1SC1CCOC1
InChIInChI=1S/C9H10ClNOS/c10-8-2-1-4-11-9(8)13-7-3-5-12-6-7/h1-2,4,7H,3,5-6H2
InChIKeyNLWUGHYOAWRNLI-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.62
Rot. Bonds2

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

3-chloro-2-(oxolan-3-ylsulfanyl)pyridine (PubChem CID 131089908) has the molecular formula C9H10ClNOS and a molecular weight of 215.70 g/mol. Its IUPAC name is 3-chloro-2-(oxolan-3-ylsulfanyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(oxolan-3-ylsulfanyl)pyridine
PubChem CID131089908
Molecular FormulaC9H10ClNOS
Molecular Weight215.70 g/mol
Exact Mass215.02
IUPAC Name3-chloro-2-(oxolan-3-ylsulfanyl)pyridine
SMILESClc1cccnc1SC1CCOC1
InChIInChI=1S/C9H10ClNOS/c10-8-2-1-4-11-9(8)13-7-3-5-12-6-7/h1-2,4,7H,3,5-6H2
InChIKeyNLWUGHYOAWRNLI-UHFFFAOYSA-N
XLogP2.62
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(oxolan-3-ylsulfanyl)pyridine?
The IUPAC name of 3-chloro-2-(oxolan-3-ylsulfanyl)pyridine (CID 131089908) is 3-chloro-2-(oxolan-3-ylsulfanyl)pyridine.
What is the SMILES notation for 3-chloro-2-(oxolan-3-ylsulfanyl)pyridine?
The canonical SMILES for 3-chloro-2-(oxolan-3-ylsulfanyl)pyridine is Clc1cccnc1SC1CCOC1.
What is the InChIKey of 3-chloro-2-(oxolan-3-ylsulfanyl)pyridine?
The InChIKey is NLWUGHYOAWRNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNOS/c10-8-2-1-4-11-9(8)13-7-3-5-12-6-7/h1-2,4,7H,3,5-6H2.
What are the key properties of 3-chloro-2-(oxolan-3-ylsulfanyl)pyridine?
3-chloro-2-(oxolan-3-ylsulfanyl)pyridine has a molecular weight of 215.70 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(oxolan-3-ylsulfanyl)pyridine is sourced from PubChem (CID 131089908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).