3-[[(2S)-azetidin-2-yl]methoxy]pyridine

C9H12N2O — CID 5310969

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]pyridine
SMILESc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
InChIKeyXKFMBGWHHBCWCD-QMMMGPOBSA-N
MW164.21 g/mol
LogP0.82
Rot. Bonds3

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

3-[[(2S)-azetidin-2-yl]methoxy]pyridine (PubChem CID 5310969) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]pyridine
PubChem CID5310969
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]pyridine
SMILESc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
InChIKeyXKFMBGWHHBCWCD-QMMMGPOBSA-N
XLogP0.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]pyridine (CID 5310969) is 3-[[(2S)-azetidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]pyridine is c1cncc(OC[C@@H]2CCN2)c1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]pyridine?
The InChIKey is XKFMBGWHHBCWCD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]pyridine?
3-[[(2S)-azetidin-2-yl]methoxy]pyridine has a molecular weight of 164.21 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 5310969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).