3-(difluoromethylsulfonyl)pyridine

C6H5F2NO2S — CID 75530035

IUPAC3-(difluoromethylsulfonyl)pyridine
SMILESO=S(=O)(c1cccnc1)C(F)F
InChIInChI=1S/C6H5F2NO2S/c7-6(8)12(10,11)5-2-1-3-9-4-5/h1-4,6H
InChIKeyDGXYSHQFBGNRED-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.08
Rot. Bonds2

About 3-(difluoromethylsulfonyl)pyridine

3-(difluoromethylsulfonyl)pyridine (PubChem CID 75530035) has the molecular formula C6H5F2NO2S and a molecular weight of 193.17 g/mol. Its IUPAC name is 3-(difluoromethylsulfonyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethylsulfonyl)pyridine
PubChem CID75530035
Molecular FormulaC6H5F2NO2S
Molecular Weight193.17 g/mol
Exact Mass193.00
IUPAC Name3-(difluoromethylsulfonyl)pyridine
SMILESO=S(=O)(c1cccnc1)C(F)F
InChIInChI=1S/C6H5F2NO2S/c7-6(8)12(10,11)5-2-1-3-9-4-5/h1-4,6H
InChIKeyDGXYSHQFBGNRED-UHFFFAOYSA-N
XLogP1.08
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonyl)pyridine?
The IUPAC name of 3-(difluoromethylsulfonyl)pyridine (CID 75530035) is 3-(difluoromethylsulfonyl)pyridine.
What is the SMILES notation for 3-(difluoromethylsulfonyl)pyridine?
The canonical SMILES for 3-(difluoromethylsulfonyl)pyridine is O=S(=O)(c1cccnc1)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfonyl)pyridine?
The InChIKey is DGXYSHQFBGNRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO2S/c7-6(8)12(10,11)5-2-1-3-9-4-5/h1-4,6H.
What are the key properties of 3-(difluoromethylsulfonyl)pyridine?
3-(difluoromethylsulfonyl)pyridine has a molecular weight of 193.17 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonyl)pyridine is sourced from PubChem (CID 75530035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).