2-chloro-6-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine

C13H9Cl2NO2S — CID 162652019

IUPAC2-chloro-6-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1cccc(Cl)n1)c1cccc(Cl)c1
InChIInChI=1S/C13H9Cl2NO2S/c14-10-3-1-5-12(9-10)19(17,18)8-7-11-4-2-6-13(15)16-11/h1-9H/b8-7+
InChIKeyKPKXZXVJQVEWIN-BQYQJAHWSA-N
MW314.19 g/mol
LogP3.83
Rot. Bonds3

About 2-chloro-6-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine

2-chloro-6-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine (PubChem CID 162652019) has the molecular formula C13H9Cl2NO2S and a molecular weight of 314.19 g/mol. Its IUPAC name is 2-chloro-6-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine
PubChem CID162652019
Molecular FormulaC13H9Cl2NO2S
Molecular Weight314.19 g/mol
Exact Mass312.97
IUPAC Name2-chloro-6-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1cccc(Cl)n1)c1cccc(Cl)c1
InChIInChI=1S/C13H9Cl2NO2S/c14-10-3-1-5-12(9-10)19(17,18)8-7-11-4-2-6-13(15)16-11/h1-9H/b8-7+
InChIKeyKPKXZXVJQVEWIN-BQYQJAHWSA-N
XLogP3.83
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine?
The IUPAC name of 2-chloro-6-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine (CID 162652019) is 2-chloro-6-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 2-chloro-6-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine is O=S(=O)(/C=C/c1cccc(Cl)n1)c1cccc(Cl)c1.
What is the InChIKey of 2-chloro-6-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine?
The InChIKey is KPKXZXVJQVEWIN-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H9Cl2NO2S/c14-10-3-1-5-12(9-10)19(17,18)8-7-11-4-2-6-13(15)16-11/h1-9H/b8-7+.
What are the key properties of 2-chloro-6-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine?
2-chloro-6-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine has a molecular weight of 314.19 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(E)-2-(3-chlorophenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 162652019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).