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

C9H10ClNOS — CID 131182823

IUPAC3-chloro-2-(oxetan-3-ylmethylsulfanyl)pyridine
SMILESClc1cccnc1SCC1COC1
InChIInChI=1S/C9H10ClNOS/c10-8-2-1-3-11-9(8)13-6-7-4-12-5-7/h1-3,7H,4-6H2
InChIKeyLCMRUGVIDKMQTA-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.47
Rot. Bonds3

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

3-chloro-2-(oxetan-3-ylmethylsulfanyl)pyridine (PubChem CID 131182823) has the molecular formula C9H10ClNOS and a molecular weight of 215.70 g/mol. Its IUPAC name is 3-chloro-2-(oxetan-3-ylmethylsulfanyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(oxetan-3-ylmethylsulfanyl)pyridine
PubChem CID131182823
Molecular FormulaC9H10ClNOS
Molecular Weight215.70 g/mol
Exact Mass215.02
IUPAC Name3-chloro-2-(oxetan-3-ylmethylsulfanyl)pyridine
SMILESClc1cccnc1SCC1COC1
InChIInChI=1S/C9H10ClNOS/c10-8-2-1-3-11-9(8)13-6-7-4-12-5-7/h1-3,7H,4-6H2
InChIKeyLCMRUGVIDKMQTA-UHFFFAOYSA-N
XLogP2.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.47
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-ylmethylsulfanyl)pyridine?
The IUPAC name of 3-chloro-2-(oxetan-3-ylmethylsulfanyl)pyridine (CID 131182823) is 3-chloro-2-(oxetan-3-ylmethylsulfanyl)pyridine.
What is the SMILES notation for 3-chloro-2-(oxetan-3-ylmethylsulfanyl)pyridine?
The canonical SMILES for 3-chloro-2-(oxetan-3-ylmethylsulfanyl)pyridine is Clc1cccnc1SCC1COC1.
What is the InChIKey of 3-chloro-2-(oxetan-3-ylmethylsulfanyl)pyridine?
The InChIKey is LCMRUGVIDKMQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNOS/c10-8-2-1-3-11-9(8)13-6-7-4-12-5-7/h1-3,7H,4-6H2.
What are the key properties of 3-chloro-2-(oxetan-3-ylmethylsulfanyl)pyridine?
3-chloro-2-(oxetan-3-ylmethylsulfanyl)pyridine has a molecular weight of 215.70 g/mol, XLogP of 2.47, 3 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-ylmethylsulfanyl)pyridine is sourced from PubChem (CID 131182823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).