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

C19H25FN2OS — CID 44555564

IUPAC3-[5-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCN1CC[C@H]1COc1cncc(-c2ccc(CCCCCF)s2)c1
InChIInChI=1S/C19H25FN2OS/c1-22-10-8-16(22)14-23-17-11-15(12-21-13-17)19-7-6-18(24-19)5-3-2-4-9-20/h6-7,11-13,16H,2-5,8-10,14H2,1H3/t16-/m0/s1
InChIKeySMWFEWUXESAOMF-INIZCTEOSA-N
MW348.49 g/mol
LogP4.58
Rot. Bonds9

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

3-[5-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (PubChem CID 44555564) has the molecular formula C19H25FN2OS and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-[5-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[5-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
PubChem CID44555564
Molecular FormulaC19H25FN2OS
Molecular Weight348.49 g/mol
Exact Mass348.17
IUPAC Name3-[5-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCN1CC[C@H]1COc1cncc(-c2ccc(CCCCCF)s2)c1
InChIInChI=1S/C19H25FN2OS/c1-22-10-8-16(22)14-23-17-11-15(12-21-13-17)19-7-6-18(24-19)5-3-2-4-9-20/h6-7,11-13,16H,2-5,8-10,14H2,1H3/t16-/m0/s1
InChIKeySMWFEWUXESAOMF-INIZCTEOSA-N
XLogP4.58
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[5-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-[5-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (CID 44555564) is 3-[5-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-[5-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-[5-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is CN1CC[C@H]1COc1cncc(-c2ccc(CCCCCF)s2)c1.
What is the InChIKey of 3-[5-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The InChIKey is SMWFEWUXESAOMF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25FN2OS/c1-22-10-8-16(22)14-23-17-11-15(12-21-13-17)19-7-6-18(24-19)5-3-2-4-9-20/h6-7,11-13,16H,2-5,8-10,14H2,1H3/t16-/m0/s1.
What are the key properties of 3-[5-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
3-[5-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine has a molecular weight of 348.49 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 44555564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).