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

C17H19FN2O2S — CID 110249421

IUPAC2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
SMILESCS(=O)(=O)N1CCCC(c2cccc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C17H19FN2O2S/c1-23(21,22)20-10-4-6-14(12-20)17-9-3-8-16(19-17)13-5-2-7-15(18)11-13/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3
InChIKeyNFSXOQFENLVXKZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.03
Rot. Bonds3

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

2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine (PubChem CID 110249421) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
PubChem CID110249421
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
SMILESCS(=O)(=O)N1CCCC(c2cccc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C17H19FN2O2S/c1-23(21,22)20-10-4-6-14(12-20)17-9-3-8-16(19-17)13-5-2-7-15(18)11-13/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3
InChIKeyNFSXOQFENLVXKZ-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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Related Compounds

2-(4-fluorophenyl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 95817962
2-(2-methylpyrazol-3-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 124967187
2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809146
3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide
CID 95809420
N-cyclopentyl-6-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110257261
2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 124988141
3-[6-[1-(dimethylsulfamoyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249555
1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809769
2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine
CID 124943820
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249966
1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95809691
2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810668

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine?
The IUPAC name of 2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine (CID 110249421) is 2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine.
What is the SMILES notation for 2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine?
The canonical SMILES for 2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine is CS(=O)(=O)N1CCCC(c2cccc(-c3cccc(F)c3)n2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine?
The InChIKey is NFSXOQFENLVXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-23(21,22)20-10-4-6-14(12-20)17-9-3-8-16(19-17)13-5-2-7-15(18)11-13/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine?
2-(3-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-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine is sourced from PubChem (CID 110249421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).