3-(difluoromethoxy)-5-methylsulfonylpyridine

C7H7F2NO3S — CID 123170906

IUPAC3-(difluoromethoxy)-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1cncc(OC(F)F)c1
InChIInChI=1S/C7H7F2NO3S/c1-14(11,12)6-2-5(3-10-4-6)13-7(8)9/h2-4,7H,1H3
InChIKeyBLFLJTNCBGDOSX-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.09
Rot. Bonds3

About 3-(difluoromethoxy)-5-methylsulfonylpyridine

3-(difluoromethoxy)-5-methylsulfonylpyridine (PubChem CID 123170906) has the molecular formula C7H7F2NO3S and a molecular weight of 223.20 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-methylsulfonylpyridine.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-methylsulfonylpyridine
PubChem CID123170906
Molecular FormulaC7H7F2NO3S
Molecular Weight223.20 g/mol
Exact Mass223.01
IUPAC Name3-(difluoromethoxy)-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1cncc(OC(F)F)c1
InChIInChI=1S/C7H7F2NO3S/c1-14(11,12)6-2-5(3-10-4-6)13-7(8)9/h2-4,7H,1H3
InChIKeyBLFLJTNCBGDOSX-UHFFFAOYSA-N
XLogP1.09
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(difluoromethoxy)-5-methylsulfonylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-methylsulfonylpyridine?
The IUPAC name of 3-(difluoromethoxy)-5-methylsulfonylpyridine (CID 123170906) is 3-(difluoromethoxy)-5-methylsulfonylpyridine.
What is the SMILES notation for 3-(difluoromethoxy)-5-methylsulfonylpyridine?
The canonical SMILES for 3-(difluoromethoxy)-5-methylsulfonylpyridine is CS(=O)(=O)c1cncc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-5-methylsulfonylpyridine?
The InChIKey is BLFLJTNCBGDOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3S/c1-14(11,12)6-2-5(3-10-4-6)13-7(8)9/h2-4,7H,1H3.
What are the key properties of 3-(difluoromethoxy)-5-methylsulfonylpyridine?
3-(difluoromethoxy)-5-methylsulfonylpyridine has a molecular weight of 223.20 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-methylsulfonylpyridine is sourced from PubChem (CID 123170906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).