2,4-dimethoxy-6-methylsulfonylpyridine

C8H11NO4S — CID 19077294

IUPAC2,4-dimethoxy-6-methylsulfonylpyridine
SMILESCOc1cc(OC)nc(S(C)(=O)=O)c1
InChIInChI=1S/C8H11NO4S/c1-12-6-4-7(13-2)9-8(5-6)14(3,10)11/h4-5H,1-3H3
InChIKeyFKFQNEVVZWKRKC-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.50
Rot. Bonds3

About 2,4-dimethoxy-6-methylsulfonylpyridine

2,4-dimethoxy-6-methylsulfonylpyridine (PubChem CID 19077294) has the molecular formula C8H11NO4S and a molecular weight of 217.25 g/mol. Its IUPAC name is 2,4-dimethoxy-6-methylsulfonylpyridine.

Molecular Properties

Compound Name2,4-dimethoxy-6-methylsulfonylpyridine
PubChem CID19077294
Molecular FormulaC8H11NO4S
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC Name2,4-dimethoxy-6-methylsulfonylpyridine
SMILESCOc1cc(OC)nc(S(C)(=O)=O)c1
InChIInChI=1S/C8H11NO4S/c1-12-6-4-7(13-2)9-8(5-6)14(3,10)11/h4-5H,1-3H3
InChIKeyFKFQNEVVZWKRKC-UHFFFAOYSA-N
XLogP0.50
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-methylsulfonylpyridine?
The IUPAC name of 2,4-dimethoxy-6-methylsulfonylpyridine (CID 19077294) is 2,4-dimethoxy-6-methylsulfonylpyridine.
What is the SMILES notation for 2,4-dimethoxy-6-methylsulfonylpyridine?
The canonical SMILES for 2,4-dimethoxy-6-methylsulfonylpyridine is COc1cc(OC)nc(S(C)(=O)=O)c1.
What is the InChIKey of 2,4-dimethoxy-6-methylsulfonylpyridine?
The InChIKey is FKFQNEVVZWKRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S/c1-12-6-4-7(13-2)9-8(5-6)14(3,10)11/h4-5H,1-3H3.
What are the key properties of 2,4-dimethoxy-6-methylsulfonylpyridine?
2,4-dimethoxy-6-methylsulfonylpyridine has a molecular weight of 217.25 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-methylsulfonylpyridine is sourced from PubChem (CID 19077294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).