5-chloro-2-(2-phenoxyethylsulfanyl)pyridine

C13H12ClNOS — CID 112815251

IUPAC5-chloro-2-(2-phenoxyethylsulfanyl)pyridine
SMILESClc1ccc(SCCOc2ccccc2)nc1
InChIInChI=1S/C13H12ClNOS/c14-11-6-7-13(15-10-11)17-9-8-16-12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKeyBZQUETFGLMWDAV-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.91
Rot. Bonds5

About 5-chloro-2-(2-phenoxyethylsulfanyl)pyridine

5-chloro-2-(2-phenoxyethylsulfanyl)pyridine (PubChem CID 112815251) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is 5-chloro-2-(2-phenoxyethylsulfanyl)pyridine.

Molecular Properties

Compound Name5-chloro-2-(2-phenoxyethylsulfanyl)pyridine
PubChem CID112815251
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name5-chloro-2-(2-phenoxyethylsulfanyl)pyridine
SMILESClc1ccc(SCCOc2ccccc2)nc1
InChIInChI=1S/C13H12ClNOS/c14-11-6-7-13(15-10-11)17-9-8-16-12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKeyBZQUETFGLMWDAV-UHFFFAOYSA-N
XLogP3.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-phenoxyethylsulfanyl)pyridine?
The IUPAC name of 5-chloro-2-(2-phenoxyethylsulfanyl)pyridine (CID 112815251) is 5-chloro-2-(2-phenoxyethylsulfanyl)pyridine.
What is the SMILES notation for 5-chloro-2-(2-phenoxyethylsulfanyl)pyridine?
The canonical SMILES for 5-chloro-2-(2-phenoxyethylsulfanyl)pyridine is Clc1ccc(SCCOc2ccccc2)nc1.
What is the InChIKey of 5-chloro-2-(2-phenoxyethylsulfanyl)pyridine?
The InChIKey is BZQUETFGLMWDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c14-11-6-7-13(15-10-11)17-9-8-16-12-4-2-1-3-5-12/h1-7,10H,8-9H2.
What are the key properties of 5-chloro-2-(2-phenoxyethylsulfanyl)pyridine?
5-chloro-2-(2-phenoxyethylsulfanyl)pyridine has a molecular weight of 265.77 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-phenoxyethylsulfanyl)pyridine is sourced from PubChem (CID 112815251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).