2-(2-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine

C17H19FN2O2S — CID 110249420

IUPAC2-(2-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
SMILESCS(=O)(=O)N1CCCC(c2cccc(-c3ccccc3F)n2)C1
InChIInChI=1S/C17H19FN2O2S/c1-23(21,22)20-11-5-6-13(12-20)16-9-4-10-17(19-16)14-7-2-3-8-15(14)18/h2-4,7-10,13H,5-6,11-12H2,1H3
InChIKeyIVGJCVPZORGOJT-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.03
Rot. Bonds3

About 2-(2-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine

2-(2-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine (PubChem CID 110249420) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
PubChem CID110249420
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name2-(2-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
SMILESCS(=O)(=O)N1CCCC(c2cccc(-c3ccccc3F)n2)C1
InChIInChI=1S/C17H19FN2O2S/c1-23(21,22)20-11-5-6-13(12-20)16-9-4-10-17(19-16)14-7-2-3-8-15(14)18/h2-4,7-10,13H,5-6,11-12H2,1H3
InChIKeyIVGJCVPZORGOJT-UHFFFAOYSA-N
XLogP3.03
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine?
The IUPAC name of 2-(2-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine (CID 110249420) is 2-(2-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine.
What is the SMILES notation for 2-(2-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine?
The canonical SMILES for 2-(2-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine is CS(=O)(=O)N1CCCC(c2cccc(-c3ccccc3F)n2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine?
The InChIKey is IVGJCVPZORGOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-23(21,22)20-11-5-6-13(12-20)16-9-4-10-17(19-16)14-7-2-3-8-15(14)18/h2-4,7-10,13H,5-6,11-12H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine?
2-(2-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine has a molecular weight of 334.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine is sourced from PubChem (CID 110249420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).