3-(azetidin-3-yl)-4-ethoxypyridine

C10H14N2O — CID 130565717

IUPAC3-(azetidin-3-yl)-4-ethoxypyridine
SMILESCCOc1ccncc1C1CNC1
InChIInChI=1S/C10H14N2O/c1-2-13-10-3-4-11-7-9(10)8-5-12-6-8/h3-4,7-8,12H,2,5-6H2,1H3
InChIKeyBAVYALWZHIAWFI-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.17
Rot. Bonds3

About 3-(azetidin-3-yl)-4-ethoxypyridine

3-(azetidin-3-yl)-4-ethoxypyridine (PubChem CID 130565717) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-4-ethoxypyridine.

Molecular Properties

Compound Name3-(azetidin-3-yl)-4-ethoxypyridine
PubChem CID130565717
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-(azetidin-3-yl)-4-ethoxypyridine
SMILESCCOc1ccncc1C1CNC1
InChIInChI=1S/C10H14N2O/c1-2-13-10-3-4-11-7-9(10)8-5-12-6-8/h3-4,7-8,12H,2,5-6H2,1H3
InChIKeyBAVYALWZHIAWFI-UHFFFAOYSA-N
XLogP1.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-4-ethoxypyridine?
The IUPAC name of 3-(azetidin-3-yl)-4-ethoxypyridine (CID 130565717) is 3-(azetidin-3-yl)-4-ethoxypyridine.
What is the SMILES notation for 3-(azetidin-3-yl)-4-ethoxypyridine?
The canonical SMILES for 3-(azetidin-3-yl)-4-ethoxypyridine is CCOc1ccncc1C1CNC1.
What is the InChIKey of 3-(azetidin-3-yl)-4-ethoxypyridine?
The InChIKey is BAVYALWZHIAWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-13-10-3-4-11-7-9(10)8-5-12-6-8/h3-4,7-8,12H,2,5-6H2,1H3.
What are the key properties of 3-(azetidin-3-yl)-4-ethoxypyridine?
3-(azetidin-3-yl)-4-ethoxypyridine has a molecular weight of 178.23 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-4-ethoxypyridine is sourced from PubChem (CID 130565717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).