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 Name | 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine |
| PubChem CID | 70083932 |
| Molecular Formula | C11H16N2O2 |
| Molecular Weight | 208.26 g/mol |
| Exact Mass | 208.12 |
| IUPAC Name | 5-[1-[(2S)-azetidin-2-yl]ethoxy]-2-methoxypyridine |
| SMILES | COc1ccc(OC(C)[C@@H]2CCN2)cn1 |
| InChI | 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 |
| InChIKey | JMBAMENODQJDJI-HTLJXXAVSA-N |
| XLogP | 1.22 |
| TPSA | 43.38 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 208.26 |
| LogP ≤ 5 | 1.22 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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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).