2-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridine

C13H11Cl2NS — CID 815208

IUPAC2-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridine
SMILESClc1ccc(Cl)c(SCCc2ccccn2)c1
InChIInChI=1S/C13H11Cl2NS/c14-10-4-5-12(15)13(9-10)17-8-6-11-3-1-2-7-16-11/h1-5,7,9H,6,8H2
InChIKeyMPWKUEBEFUFYHP-UHFFFAOYSA-N
MW284.21 g/mol
LogP4.72
Rot. Bonds4

About 2-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridine

2-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridine (PubChem CID 815208) has the molecular formula C13H11Cl2NS and a molecular weight of 284.21 g/mol. Its IUPAC name is 2-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridine.

Molecular Properties

Compound Name2-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridine
PubChem CID815208
Molecular FormulaC13H11Cl2NS
Molecular Weight284.21 g/mol
Exact Mass283.00
IUPAC Name2-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridine
SMILESClc1ccc(Cl)c(SCCc2ccccn2)c1
InChIInChI=1S/C13H11Cl2NS/c14-10-4-5-12(15)13(9-10)17-8-6-11-3-1-2-7-16-11/h1-5,7,9H,6,8H2
InChIKeyMPWKUEBEFUFYHP-UHFFFAOYSA-N
XLogP4.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridine?
The IUPAC name of 2-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridine (CID 815208) is 2-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridine.
What is the SMILES notation for 2-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridine?
The canonical SMILES for 2-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridine is Clc1ccc(Cl)c(SCCc2ccccn2)c1.
What is the InChIKey of 2-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridine?
The InChIKey is MPWKUEBEFUFYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NS/c14-10-4-5-12(15)13(9-10)17-8-6-11-3-1-2-7-16-11/h1-5,7,9H,6,8H2.
What are the key properties of 2-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridine?
2-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridine has a molecular weight of 284.21 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dichlorophenyl)sulfanylethyl]pyridine is sourced from PubChem (CID 815208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).