3-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine

C10H14N2O — CID 10654912

IUPAC3-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCN1CC[C@H]1COc1cccnc1
InChIInChI=1S/C10H14N2O/c1-12-6-4-9(12)8-13-10-3-2-5-11-7-10/h2-3,5,7,9H,4,6,8H2,1H3/t9-/m0/s1
InChIKeyWPIIPCGOWUPPLZ-VIFPVBQESA-N
MW178.24 g/mol
LogP1.16
Rot. Bonds3

About 3-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine

3-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (PubChem CID 10654912) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
PubChem CID10654912
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCN1CC[C@H]1COc1cccnc1
InChIInChI=1S/C10H14N2O/c1-12-6-4-9(12)8-13-10-3-2-5-11-7-10/h2-3,5,7,9H,4,6,8H2,1H3/t9-/m0/s1
InChIKeyWPIIPCGOWUPPLZ-VIFPVBQESA-N
XLogP1.16
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (CID 10654912) is 3-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is CN1CC[C@H]1COc1cccnc1.
What is the InChIKey of 3-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The InChIKey is WPIIPCGOWUPPLZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O/c1-12-6-4-9(12)8-13-10-3-2-5-11-7-10/h2-3,5,7,9H,4,6,8H2,1H3/t9-/m0/s1.
What are the key properties of 3-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
3-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine has a molecular weight of 178.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 10654912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).