2-(azetidin-1-yl)-6-[1-(3-fluorophenoxy)ethyl]pyridine

C16H17FN2O — CID 67256222

IUPAC2-(azetidin-1-yl)-6-[1-(3-fluorophenoxy)ethyl]pyridine
SMILESCC(Oc1cccc(F)c1)c1cccc(N2CCC2)n1
InChIInChI=1S/C16H17FN2O/c1-12(20-14-6-2-5-13(17)11-14)15-7-3-8-16(18-15)19-9-4-10-19/h2-3,5-8,11-12H,4,9-10H2,1H3
InChIKeyZUGWMCMCHKXRDP-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.57
Rot. Bonds4

About 2-(azetidin-1-yl)-6-[1-(3-fluorophenoxy)ethyl]pyridine

2-(azetidin-1-yl)-6-[1-(3-fluorophenoxy)ethyl]pyridine (PubChem CID 67256222) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-6-[1-(3-fluorophenoxy)ethyl]pyridine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-6-[1-(3-fluorophenoxy)ethyl]pyridine
PubChem CID67256222
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-(azetidin-1-yl)-6-[1-(3-fluorophenoxy)ethyl]pyridine
SMILESCC(Oc1cccc(F)c1)c1cccc(N2CCC2)n1
InChIInChI=1S/C16H17FN2O/c1-12(20-14-6-2-5-13(17)11-14)15-7-3-8-16(18-15)19-9-4-10-19/h2-3,5-8,11-12H,4,9-10H2,1H3
InChIKeyZUGWMCMCHKXRDP-UHFFFAOYSA-N
XLogP3.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-6-[1-(3-fluorophenoxy)ethyl]pyridine?
The IUPAC name of 2-(azetidin-1-yl)-6-[1-(3-fluorophenoxy)ethyl]pyridine (CID 67256222) is 2-(azetidin-1-yl)-6-[1-(3-fluorophenoxy)ethyl]pyridine.
What is the SMILES notation for 2-(azetidin-1-yl)-6-[1-(3-fluorophenoxy)ethyl]pyridine?
The canonical SMILES for 2-(azetidin-1-yl)-6-[1-(3-fluorophenoxy)ethyl]pyridine is CC(Oc1cccc(F)c1)c1cccc(N2CCC2)n1.
What is the InChIKey of 2-(azetidin-1-yl)-6-[1-(3-fluorophenoxy)ethyl]pyridine?
The InChIKey is ZUGWMCMCHKXRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-12(20-14-6-2-5-13(17)11-14)15-7-3-8-16(18-15)19-9-4-10-19/h2-3,5-8,11-12H,4,9-10H2,1H3.
What are the key properties of 2-(azetidin-1-yl)-6-[1-(3-fluorophenoxy)ethyl]pyridine?
2-(azetidin-1-yl)-6-[1-(3-fluorophenoxy)ethyl]pyridine has a molecular weight of 272.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-6-[1-(3-fluorophenoxy)ethyl]pyridine is sourced from PubChem (CID 67256222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).