2-chloro-6-methylsulfonylpyridine

C6H6ClNO2S — CID 676424

IUPAC2-chloro-6-methylsulfonylpyridine
SMILESCS(=O)(=O)c1cccc(Cl)n1
InChIInChI=1S/C6H6ClNO2S/c1-11(9,10)6-4-2-3-5(7)8-6/h2-4H,1H3
InChIKeyLEFPANUISJDYMO-UHFFFAOYSA-N
MW191.64 g/mol
LogP1.14
Rot. Bonds1

About 2-chloro-6-methylsulfonylpyridine

2-chloro-6-methylsulfonylpyridine (PubChem CID 676424) has the molecular formula C6H6ClNO2S and a molecular weight of 191.64 g/mol. Its IUPAC name is 2-chloro-6-methylsulfonylpyridine.

Molecular Properties

Compound Name2-chloro-6-methylsulfonylpyridine
PubChem CID676424
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64 g/mol
Exact Mass190.98
IUPAC Name2-chloro-6-methylsulfonylpyridine
SMILESCS(=O)(=O)c1cccc(Cl)n1
InChIInChI=1S/C6H6ClNO2S/c1-11(9,10)6-4-2-3-5(7)8-6/h2-4H,1H3
InChIKeyLEFPANUISJDYMO-UHFFFAOYSA-N
XLogP1.14
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 51.14
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-methylsulfonylpyridine?
The IUPAC name of 2-chloro-6-methylsulfonylpyridine (CID 676424) is 2-chloro-6-methylsulfonylpyridine.
What is the SMILES notation for 2-chloro-6-methylsulfonylpyridine?
The canonical SMILES for 2-chloro-6-methylsulfonylpyridine is CS(=O)(=O)c1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-methylsulfonylpyridine?
The InChIKey is LEFPANUISJDYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S/c1-11(9,10)6-4-2-3-5(7)8-6/h2-4H,1H3.
What are the key properties of 2-chloro-6-methylsulfonylpyridine?
2-chloro-6-methylsulfonylpyridine has a molecular weight of 191.64 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylsulfonylpyridine is sourced from PubChem (CID 676424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).