5-methoxy-2-methyl-3-methylsulfonylpyridine

C8H11NO3S — CID 167144951

IUPAC5-methoxy-2-methyl-3-methylsulfonylpyridine
SMILESCOc1cnc(C)c(S(C)(=O)=O)c1
InChIInChI=1S/C8H11NO3S/c1-6-8(13(3,10)11)4-7(12-2)5-9-6/h4-5H,1-3H3
InChIKeyLODLQNJGAFKQTL-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.80
Rot. Bonds2

About 5-methoxy-2-methyl-3-methylsulfonylpyridine

5-methoxy-2-methyl-3-methylsulfonylpyridine (PubChem CID 167144951) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 5-methoxy-2-methyl-3-methylsulfonylpyridine.

Molecular Properties

Compound Name5-methoxy-2-methyl-3-methylsulfonylpyridine
PubChem CID167144951
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name5-methoxy-2-methyl-3-methylsulfonylpyridine
SMILESCOc1cnc(C)c(S(C)(=O)=O)c1
InChIInChI=1S/C8H11NO3S/c1-6-8(13(3,10)11)4-7(12-2)5-9-6/h4-5H,1-3H3
InChIKeyLODLQNJGAFKQTL-UHFFFAOYSA-N
XLogP0.80
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-3-methylsulfonylpyridine?
The IUPAC name of 5-methoxy-2-methyl-3-methylsulfonylpyridine (CID 167144951) is 5-methoxy-2-methyl-3-methylsulfonylpyridine.
What is the SMILES notation for 5-methoxy-2-methyl-3-methylsulfonylpyridine?
The canonical SMILES for 5-methoxy-2-methyl-3-methylsulfonylpyridine is COc1cnc(C)c(S(C)(=O)=O)c1.
What is the InChIKey of 5-methoxy-2-methyl-3-methylsulfonylpyridine?
The InChIKey is LODLQNJGAFKQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-6-8(13(3,10)11)4-7(12-2)5-9-6/h4-5H,1-3H3.
What are the key properties of 5-methoxy-2-methyl-3-methylsulfonylpyridine?
5-methoxy-2-methyl-3-methylsulfonylpyridine has a molecular weight of 201.25 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-3-methylsulfonylpyridine is sourced from PubChem (CID 167144951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).