3-(difluoromethoxy)-2-(methylsulfonylmethyl)pyridine

C8H9F2NO3S — CID 67384844

IUPAC3-(difluoromethoxy)-2-(methylsulfonylmethyl)pyridine
SMILESCS(=O)(=O)Cc1ncccc1OC(F)F
InChIInChI=1S/C8H9F2NO3S/c1-15(12,13)5-6-7(14-8(9)10)3-2-4-11-6/h2-4,8H,5H2,1H3
InChIKeyPAXFBAKHRYLAMD-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.23
Rot. Bonds4

About 3-(difluoromethoxy)-2-(methylsulfonylmethyl)pyridine

3-(difluoromethoxy)-2-(methylsulfonylmethyl)pyridine (PubChem CID 67384844) has the molecular formula C8H9F2NO3S and a molecular weight of 237.23 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2-(methylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethoxy)-2-(methylsulfonylmethyl)pyridine
PubChem CID67384844
Molecular FormulaC8H9F2NO3S
Molecular Weight237.23 g/mol
Exact Mass237.03
IUPAC Name3-(difluoromethoxy)-2-(methylsulfonylmethyl)pyridine
SMILESCS(=O)(=O)Cc1ncccc1OC(F)F
InChIInChI=1S/C8H9F2NO3S/c1-15(12,13)5-6-7(14-8(9)10)3-2-4-11-6/h2-4,8H,5H2,1H3
InChIKeyPAXFBAKHRYLAMD-UHFFFAOYSA-N
XLogP1.23
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-2-(methylsulfonylmethyl)pyridine?
The IUPAC name of 3-(difluoromethoxy)-2-(methylsulfonylmethyl)pyridine (CID 67384844) is 3-(difluoromethoxy)-2-(methylsulfonylmethyl)pyridine.
What is the SMILES notation for 3-(difluoromethoxy)-2-(methylsulfonylmethyl)pyridine?
The canonical SMILES for 3-(difluoromethoxy)-2-(methylsulfonylmethyl)pyridine is CS(=O)(=O)Cc1ncccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-2-(methylsulfonylmethyl)pyridine?
The InChIKey is PAXFBAKHRYLAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3S/c1-15(12,13)5-6-7(14-8(9)10)3-2-4-11-6/h2-4,8H,5H2,1H3.
What are the key properties of 3-(difluoromethoxy)-2-(methylsulfonylmethyl)pyridine?
3-(difluoromethoxy)-2-(methylsulfonylmethyl)pyridine has a molecular weight of 237.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2-(methylsulfonylmethyl)pyridine is sourced from PubChem (CID 67384844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).