2-(1,1-difluoroethyl)-6-methylsulfonylpyridine

C8H9F2NO2S — CID 146530931

IUPAC2-(1,1-difluoroethyl)-6-methylsulfonylpyridine
SMILESCC(F)(F)c1cccc(S(C)(=O)=O)n1
InChIInChI=1S/C8H9F2NO2S/c1-8(9,10)6-4-3-5-7(11-6)14(2,12)13/h3-5H,1-2H3
InChIKeyIKYLHACVGNPKPW-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.60
Rot. Bonds2

About 2-(1,1-difluoroethyl)-6-methylsulfonylpyridine

2-(1,1-difluoroethyl)-6-methylsulfonylpyridine (PubChem CID 146530931) has the molecular formula C8H9F2NO2S and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-6-methylsulfonylpyridine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-6-methylsulfonylpyridine
PubChem CID146530931
Molecular FormulaC8H9F2NO2S
Molecular Weight221.23 g/mol
Exact Mass221.03
IUPAC Name2-(1,1-difluoroethyl)-6-methylsulfonylpyridine
SMILESCC(F)(F)c1cccc(S(C)(=O)=O)n1
InChIInChI=1S/C8H9F2NO2S/c1-8(9,10)6-4-3-5-7(11-6)14(2,12)13/h3-5H,1-2H3
InChIKeyIKYLHACVGNPKPW-UHFFFAOYSA-N
XLogP1.60
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-6-methylsulfonylpyridine?
The IUPAC name of 2-(1,1-difluoroethyl)-6-methylsulfonylpyridine (CID 146530931) is 2-(1,1-difluoroethyl)-6-methylsulfonylpyridine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-6-methylsulfonylpyridine?
The canonical SMILES for 2-(1,1-difluoroethyl)-6-methylsulfonylpyridine is CC(F)(F)c1cccc(S(C)(=O)=O)n1.
What is the InChIKey of 2-(1,1-difluoroethyl)-6-methylsulfonylpyridine?
The InChIKey is IKYLHACVGNPKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2S/c1-8(9,10)6-4-3-5-7(11-6)14(2,12)13/h3-5H,1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-6-methylsulfonylpyridine?
2-(1,1-difluoroethyl)-6-methylsulfonylpyridine has a molecular weight of 221.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-6-methylsulfonylpyridine is sourced from PubChem (CID 146530931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).