2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine

C17H19FN2O2S — CID 95817970

IUPAC2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
SMILESCS(=O)(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H19FN2O2S/c1-23(21,22)20-11-3-6-17(20)16-5-2-4-15(19-16)12-13-7-9-14(18)10-8-13/h2,4-5,7-10,17H,3,6,11-12H2,1H3/t17-/m1/s1
InChIKeyDZQIASCQGWLVSL-QGZVFWFLSA-N
MW334.42 g/mol
LogP2.91
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine

2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine (PubChem CID 95817970) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
PubChem CID95817970
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
SMILESCS(=O)(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H19FN2O2S/c1-23(21,22)20-11-3-6-17(20)16-5-2-4-15(19-16)12-13-7-9-14(18)10-8-13/h2,4-5,7-10,17H,3,6,11-12H2,1H3/t17-/m1/s1
InChIKeyDZQIASCQGWLVSL-QGZVFWFLSA-N
XLogP2.91
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
CID 95817972
2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110254506
2-[(4-fluorophenyl)methyl]-6-(1-methylpyrrolidin-2-yl)pyridine
CID 110254377
(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 95818112
2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine
CID 95818393
2-[(3-fluorophenyl)methyl]-6-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 95818487
1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110254562
[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110254532
2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-(1H-pyrazol-5-yl)pyridine
CID 124993531
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95817811
2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 125001106
2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol
CID 95846391

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine (CID 95817970) is 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine is CS(=O)(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is DZQIASCQGWLVSL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-23(21,22)20-11-3-6-17(20)16-5-2-4-15(19-16)12-13-7-9-14(18)10-8-13/h2,4-5,7-10,17H,3,6,11-12H2,1H3/t17-/m1/s1.
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine?
2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 334.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 95817970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).