5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine

C11H16N2O2 — CID 70083932

IUPAC5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine
SMILESCOc1ccc(OC(C)[C@@H]2CCN2)cn1
InChIInChI=1S/C11H16N2O2/c1-8(10-5-6-12-10)15-9-3-4-11(14-2)13-7-9/h3-4,7-8,10,12H,5-6H2,1-2H3/t8?,10-/m0/s1
InChIKeyJMBAMENODQJDJI-HTLJXXAVSA-N
MW208.26 g/mol
LogP1.22
Rot. Bonds4

About 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine

5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine (PubChem CID 70083932) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine.

Molecular Properties

Compound Name5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine
PubChem CID70083932
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine
SMILESCOc1ccc(OC(C)[C@@H]2CCN2)cn1
InChIInChI=1S/C11H16N2O2/c1-8(10-5-6-12-10)15-9-3-4-11(14-2)13-7-9/h3-4,7-8,10,12H,5-6H2,1-2H3/t8?,10-/m0/s1
InChIKeyJMBAMENODQJDJI-HTLJXXAVSA-N
XLogP1.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine?
The IUPAC name of 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine (CID 70083932) is 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine.
What is the SMILES notation for 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine?
The canonical SMILES for 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine is COc1ccc(OC(C)[C@@H]2CCN2)cn1.
What is the InChIKey of 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine?
The InChIKey is JMBAMENODQJDJI-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(10-5-6-12-10)15-9-3-4-11(14-2)13-7-9/h3-4,7-8,10,12H,5-6H2,1-2H3/t8?,10-/m0/s1.
What are the key properties of 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine?
5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine has a molecular weight of 208.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine is sourced from PubChem (CID 70083932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).