3-[4-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine

C19H25FN2OS — CID 44555563

IUPAC3-[4-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCN1CC[C@H]1COc1cncc(-c2cc(CCCCCF)cs2)c1
InChIInChI=1S/C19H25FN2OS/c1-22-8-6-17(22)13-23-18-10-16(11-21-12-18)19-9-15(14-24-19)5-3-2-4-7-20/h9-12,14,17H,2-8,13H2,1H3/t17-/m0/s1
InChIKeyIDNMKMQRZVOWSC-KRWDZBQOSA-N
MW348.49 g/mol
LogP4.58
Rot. Bonds9

About 3-[4-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine

3-[4-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (PubChem CID 44555563) has the molecular formula C19H25FN2OS and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-[4-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[4-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
PubChem CID44555563
Molecular FormulaC19H25FN2OS
Molecular Weight348.49 g/mol
Exact Mass348.17
IUPAC Name3-[4-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCN1CC[C@H]1COc1cncc(-c2cc(CCCCCF)cs2)c1
InChIInChI=1S/C19H25FN2OS/c1-22-8-6-17(22)13-23-18-10-16(11-21-12-18)19-9-15(14-24-19)5-3-2-4-7-20/h9-12,14,17H,2-8,13H2,1H3/t17-/m0/s1
InChIKeyIDNMKMQRZVOWSC-KRWDZBQOSA-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-[4-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-[4-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (CID 44555563) is 3-[4-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-[4-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-[4-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is CN1CC[C@H]1COc1cncc(-c2cc(CCCCCF)cs2)c1.
What is the InChIKey of 3-[4-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The InChIKey is IDNMKMQRZVOWSC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25FN2OS/c1-22-8-6-17(22)13-23-18-10-16(11-21-12-18)19-9-15(14-24-19)5-3-2-4-7-20/h9-12,14,17H,2-8,13H2,1H3/t17-/m0/s1.
What are the key properties of 3-[4-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
3-[4-(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-[4-(5-fluoropentyl)thiophen-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 44555563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).