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

C10H14N2O — CID 10012482

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-methylpyridine
SMILESCc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C10H14N2O/c1-8-4-10(6-11-5-8)13-7-9-2-3-12-9/h4-6,9,12H,2-3,7H2,1H3/t9-/m0/s1
InChIKeyDEFPVUIYITVQJX-VIFPVBQESA-N
MW178.24 g/mol
LogP1.13
Rot. Bonds3

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

3-[[(2S)-azetidin-2-yl]methoxy]-5-methylpyridine (PubChem CID 10012482) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-methylpyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-methylpyridine
PubChem CID10012482
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-methylpyridine
SMILESCc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C10H14N2O/c1-8-4-10(6-11-5-8)13-7-9-2-3-12-9/h4-6,9,12H,2-3,7H2,1H3/t9-/m0/s1
InChIKeyDEFPVUIYITVQJX-VIFPVBQESA-N
XLogP1.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.13
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]-5-methylpyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-methylpyridine (CID 10012482) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-methylpyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-methylpyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-methylpyridine is Cc1cncc(OC[C@@H]2CCN2)c1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-methylpyridine?
The InChIKey is DEFPVUIYITVQJX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-4-10(6-11-5-8)13-7-9-2-3-12-9/h4-6,9,12H,2-3,7H2,1H3/t9-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-methylpyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-methylpyridine has a molecular weight of 178.24 g/mol, XLogP of 1.13, 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]-5-methylpyridine is sourced from PubChem (CID 10012482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).