2-ethyl-5-methylsulfonylpyridine

C8H11NO2S — CID 70661388

IUPAC2-ethyl-5-methylsulfonylpyridine
SMILESCCc1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C8H11NO2S/c1-3-7-4-5-8(6-9-7)12(2,10)11/h4-6H,3H2,1-2H3
InChIKeyXLQGESTYUFDVGW-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.05
Rot. Bonds2

About 2-ethyl-5-methylsulfonylpyridine

2-ethyl-5-methylsulfonylpyridine (PubChem CID 70661388) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-ethyl-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-ethyl-5-methylsulfonylpyridine
PubChem CID70661388
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-ethyl-5-methylsulfonylpyridine
SMILESCCc1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C8H11NO2S/c1-3-7-4-5-8(6-9-7)12(2,10)11/h4-6H,3H2,1-2H3
InChIKeyXLQGESTYUFDVGW-UHFFFAOYSA-N
XLogP1.05
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methylsulfonylpyridine?
The IUPAC name of 2-ethyl-5-methylsulfonylpyridine (CID 70661388) is 2-ethyl-5-methylsulfonylpyridine.
What is the SMILES notation for 2-ethyl-5-methylsulfonylpyridine?
The canonical SMILES for 2-ethyl-5-methylsulfonylpyridine is CCc1ccc(S(C)(=O)=O)cn1.
What is the InChIKey of 2-ethyl-5-methylsulfonylpyridine?
The InChIKey is XLQGESTYUFDVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-3-7-4-5-8(6-9-7)12(2,10)11/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-methylsulfonylpyridine?
2-ethyl-5-methylsulfonylpyridine has a molecular weight of 185.25 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methylsulfonylpyridine is sourced from PubChem (CID 70661388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).