3-[[(2S)-azetidin-2-yl]methoxy]-5-ethoxypyridine

C11H16N2O2 — CID 21345203

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-ethoxypyridine
SMILESCCOc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C11H16N2O2/c1-2-14-10-5-11(7-12-6-10)15-8-9-3-4-13-9/h5-7,9,13H,2-4,8H2,1H3/t9-/m0/s1
InChIKeyCSDHAOULPQQUMX-VIFPVBQESA-N
MW208.26 g/mol
LogP1.22
Rot. Bonds5

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-ethoxypyridine

3-[[(2S)-azetidin-2-yl]methoxy]-5-ethoxypyridine (PubChem CID 21345203) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-ethoxypyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-ethoxypyridine
PubChem CID21345203
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-ethoxypyridine
SMILESCCOc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C11H16N2O2/c1-2-14-10-5-11(7-12-6-10)15-8-9-3-4-13-9/h5-7,9,13H,2-4,8H2,1H3/t9-/m0/s1
InChIKeyCSDHAOULPQQUMX-VIFPVBQESA-N
XLogP1.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 3-[[(2S)-azetidin-2-yl]methoxy]-5-ethoxypyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-ethoxypyridine (CID 21345203) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-ethoxypyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-ethoxypyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-ethoxypyridine is CCOc1cncc(OC[C@@H]2CCN2)c1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-ethoxypyridine?
The InChIKey is CSDHAOULPQQUMX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-14-10-5-11(7-12-6-10)15-8-9-3-4-13-9/h5-7,9,13H,2-4,8H2,1H3/t9-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-ethoxypyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-ethoxypyridine has a molecular weight of 208.26 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-ethoxypyridine is sourced from PubChem (CID 21345203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).