5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine

C8H9F2NO3S — CID 68858921

IUPAC5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine
SMILESCc1cc(OC(F)F)cnc1S(C)(=O)=O
InChIInChI=1S/C8H9F2NO3S/c1-5-3-6(14-8(9)10)4-11-7(5)15(2,12)13/h3-4,8H,1-2H3
InChIKeyZIBJSEGIHLJULM-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.39
Rot. Bonds3

About 5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine

5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine (PubChem CID 68858921) has the molecular formula C8H9F2NO3S and a molecular weight of 237.23 g/mol. Its IUPAC name is 5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine.

Molecular Properties

Compound Name5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine
PubChem CID68858921
Molecular FormulaC8H9F2NO3S
Molecular Weight237.23 g/mol
Exact Mass237.03
IUPAC Name5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine
SMILESCc1cc(OC(F)F)cnc1S(C)(=O)=O
InChIInChI=1S/C8H9F2NO3S/c1-5-3-6(14-8(9)10)4-11-7(5)15(2,12)13/h3-4,8H,1-2H3
InChIKeyZIBJSEGIHLJULM-UHFFFAOYSA-N
XLogP1.39
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine?
The IUPAC name of 5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine (CID 68858921) is 5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine.
What is the SMILES notation for 5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine?
The canonical SMILES for 5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine is Cc1cc(OC(F)F)cnc1S(C)(=O)=O.
What is the InChIKey of 5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine?
The InChIKey is ZIBJSEGIHLJULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3S/c1-5-3-6(14-8(9)10)4-11-7(5)15(2,12)13/h3-4,8H,1-2H3.
What are the key properties of 5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine?
5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine has a molecular weight of 237.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine is sourced from PubChem (CID 68858921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).