3-[3-(5-fluoropentyl)phenyl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine

C21H27FN2O — CID 44555507

IUPAC3-[3-(5-fluoropentyl)phenyl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCN1CC[C@H]1COc1cncc(-c2cccc(CCCCCF)c2)c1
InChIInChI=1S/C21H27FN2O/c1-24-11-9-20(24)16-25-21-13-19(14-23-15-21)18-8-5-7-17(12-18)6-3-2-4-10-22/h5,7-8,12-15,20H,2-4,6,9-11,16H2,1H3/t20-/m0/s1
InChIKeyHWUWBZCXIHCWNW-FQEVSTJZSA-N
MW342.46 g/mol
LogP4.51
Rot. Bonds9

About 3-[3-(5-fluoropentyl)phenyl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine

3-[3-(5-fluoropentyl)phenyl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (PubChem CID 44555507) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-[3-(5-fluoropentyl)phenyl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[3-(5-fluoropentyl)phenyl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
PubChem CID44555507
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name3-[3-(5-fluoropentyl)phenyl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCN1CC[C@H]1COc1cncc(-c2cccc(CCCCCF)c2)c1
InChIInChI=1S/C21H27FN2O/c1-24-11-9-20(24)16-25-21-13-19(14-23-15-21)18-8-5-7-17(12-18)6-3-2-4-10-22/h5,7-8,12-15,20H,2-4,6,9-11,16H2,1H3/t20-/m0/s1
InChIKeyHWUWBZCXIHCWNW-FQEVSTJZSA-N
XLogP4.51
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-fluoropentyl)phenyl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-[3-(5-fluoropentyl)phenyl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (CID 44555507) is 3-[3-(5-fluoropentyl)phenyl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-[3-(5-fluoropentyl)phenyl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-[3-(5-fluoropentyl)phenyl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is CN1CC[C@H]1COc1cncc(-c2cccc(CCCCCF)c2)c1.
What is the InChIKey of 3-[3-(5-fluoropentyl)phenyl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The InChIKey is HWUWBZCXIHCWNW-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-24-11-9-20(24)16-25-21-13-19(14-23-15-21)18-8-5-7-17(12-18)6-3-2-4-10-22/h5,7-8,12-15,20H,2-4,6,9-11,16H2,1H3/t20-/m0/s1.
What are the key properties of 3-[3-(5-fluoropentyl)phenyl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
3-[3-(5-fluoropentyl)phenyl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine has a molecular weight of 342.46 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-fluoropentyl)phenyl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 44555507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).