2,3-dichloro-5-methylsulfonylpyridine

C6H5Cl2NO2S — CID 10966194

IUPAC2,3-dichloro-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C6H5Cl2NO2S/c1-12(10,11)4-2-5(7)6(8)9-3-4/h2-3H,1H3
InChIKeyCKEHZBXHXCACMG-UHFFFAOYSA-N
MW226.08 g/mol
LogP1.79
Rot. Bonds1

About 2,3-dichloro-5-methylsulfonylpyridine

2,3-dichloro-5-methylsulfonylpyridine (PubChem CID 10966194) has the molecular formula C6H5Cl2NO2S and a molecular weight of 226.08 g/mol. Its IUPAC name is 2,3-dichloro-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2,3-dichloro-5-methylsulfonylpyridine
PubChem CID10966194
Molecular FormulaC6H5Cl2NO2S
Molecular Weight226.08 g/mol
Exact Mass224.94
IUPAC Name2,3-dichloro-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C6H5Cl2NO2S/c1-12(10,11)4-2-5(7)6(8)9-3-4/h2-3H,1H3
InChIKeyCKEHZBXHXCACMG-UHFFFAOYSA-N
XLogP1.79
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 51.79
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 2,3-dichloro-5-methylsulfonylpyridine?
The IUPAC name of 2,3-dichloro-5-methylsulfonylpyridine (CID 10966194) is 2,3-dichloro-5-methylsulfonylpyridine.
What is the SMILES notation for 2,3-dichloro-5-methylsulfonylpyridine?
The canonical SMILES for 2,3-dichloro-5-methylsulfonylpyridine is CS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 2,3-dichloro-5-methylsulfonylpyridine?
The InChIKey is CKEHZBXHXCACMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO2S/c1-12(10,11)4-2-5(7)6(8)9-3-4/h2-3H,1H3.
What are the key properties of 2,3-dichloro-5-methylsulfonylpyridine?
2,3-dichloro-5-methylsulfonylpyridine has a molecular weight of 226.08 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-methylsulfonylpyridine is sourced from PubChem (CID 10966194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).