5-(methoxymethyl)-2-methylsulfonylpyridine

C8H11NO3S — CID 168954994

IUPAC5-(methoxymethyl)-2-methylsulfonylpyridine
SMILESCOCc1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C8H11NO3S/c1-12-6-7-3-4-8(9-5-7)13(2,10)11/h3-5H,6H2,1-2H3
InChIKeyBTCZDQZDUAWTSO-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.63
Rot. Bonds3

About 5-(methoxymethyl)-2-methylsulfonylpyridine

5-(methoxymethyl)-2-methylsulfonylpyridine (PubChem CID 168954994) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-methylsulfonylpyridine.

Molecular Properties

Compound Name5-(methoxymethyl)-2-methylsulfonylpyridine
PubChem CID168954994
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name5-(methoxymethyl)-2-methylsulfonylpyridine
SMILESCOCc1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C8H11NO3S/c1-12-6-7-3-4-8(9-5-7)13(2,10)11/h3-5H,6H2,1-2H3
InChIKeyBTCZDQZDUAWTSO-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 5-(methoxymethyl)-2-methylsulfonylpyridine?
The IUPAC name of 5-(methoxymethyl)-2-methylsulfonylpyridine (CID 168954994) is 5-(methoxymethyl)-2-methylsulfonylpyridine.
What is the SMILES notation for 5-(methoxymethyl)-2-methylsulfonylpyridine?
The canonical SMILES for 5-(methoxymethyl)-2-methylsulfonylpyridine is COCc1ccc(S(C)(=O)=O)nc1.
What is the InChIKey of 5-(methoxymethyl)-2-methylsulfonylpyridine?
The InChIKey is BTCZDQZDUAWTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-12-6-7-3-4-8(9-5-7)13(2,10)11/h3-5H,6H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-2-methylsulfonylpyridine?
5-(methoxymethyl)-2-methylsulfonylpyridine 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 5-(methoxymethyl)-2-methylsulfonylpyridine is sourced from PubChem (CID 168954994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).