4-methoxy-2-(methylsulfonylmethyl)pyridine

C8H11NO3S — CID 130621299

IUPAC4-methoxy-2-(methylsulfonylmethyl)pyridine
SMILESCOc1ccnc(CS(C)(=O)=O)c1
InChIInChI=1S/C8H11NO3S/c1-12-8-3-4-9-7(5-8)6-13(2,10)11/h3-5H,6H2,1-2H3
InChIKeyPWQMSDYVGCWRGB-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.63
Rot. Bonds3

About 4-methoxy-2-(methylsulfonylmethyl)pyridine

4-methoxy-2-(methylsulfonylmethyl)pyridine (PubChem CID 130621299) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-methoxy-2-(methylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name4-methoxy-2-(methylsulfonylmethyl)pyridine
PubChem CID130621299
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name4-methoxy-2-(methylsulfonylmethyl)pyridine
SMILESCOc1ccnc(CS(C)(=O)=O)c1
InChIInChI=1S/C8H11NO3S/c1-12-8-3-4-9-7(5-8)6-13(2,10)11/h3-5H,6H2,1-2H3
InChIKeyPWQMSDYVGCWRGB-UHFFFAOYSA-N
XLogP0.63
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methylsulfonylmethyl)pyridine?
The IUPAC name of 4-methoxy-2-(methylsulfonylmethyl)pyridine (CID 130621299) is 4-methoxy-2-(methylsulfonylmethyl)pyridine.
What is the SMILES notation for 4-methoxy-2-(methylsulfonylmethyl)pyridine?
The canonical SMILES for 4-methoxy-2-(methylsulfonylmethyl)pyridine is COc1ccnc(CS(C)(=O)=O)c1.
What is the InChIKey of 4-methoxy-2-(methylsulfonylmethyl)pyridine?
The InChIKey is PWQMSDYVGCWRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-12-8-3-4-9-7(5-8)6-13(2,10)11/h3-5H,6H2,1-2H3.
What are the key properties of 4-methoxy-2-(methylsulfonylmethyl)pyridine?
4-methoxy-2-(methylsulfonylmethyl)pyridine has a molecular weight of 201.25 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methylsulfonylmethyl)pyridine is sourced from PubChem (CID 130621299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).