2-(2-ethoxy-3-methylaziridin-2-yl)pyridine

C10H14N2O — CID 154379007

IUPAC2-(2-ethoxy-3-methylaziridin-2-yl)pyridine
SMILESCCOC1(c2ccccn2)NC1C
InChIInChI=1S/C10H14N2O/c1-3-13-10(8(2)12-10)9-6-4-5-7-11-9/h4-8,12H,3H2,1-2H3
InChIKeyLJTFWTVYFZZOCL-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.26
Rot. Bonds3

About 2-(2-ethoxy-3-methylaziridin-2-yl)pyridine

2-(2-ethoxy-3-methylaziridin-2-yl)pyridine (PubChem CID 154379007) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(2-ethoxy-3-methylaziridin-2-yl)pyridine.

Molecular Properties

Compound Name2-(2-ethoxy-3-methylaziridin-2-yl)pyridine
PubChem CID154379007
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-(2-ethoxy-3-methylaziridin-2-yl)pyridine
SMILESCCOC1(c2ccccn2)NC1C
InChIInChI=1S/C10H14N2O/c1-3-13-10(8(2)12-10)9-6-4-5-7-11-9/h4-8,12H,3H2,1-2H3
InChIKeyLJTFWTVYFZZOCL-UHFFFAOYSA-N
XLogP1.26
TPSA44.06 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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-methylaziridin-2-yl)pyridine?
The IUPAC name of 2-(2-ethoxy-3-methylaziridin-2-yl)pyridine (CID 154379007) is 2-(2-ethoxy-3-methylaziridin-2-yl)pyridine.
What is the SMILES notation for 2-(2-ethoxy-3-methylaziridin-2-yl)pyridine?
The canonical SMILES for 2-(2-ethoxy-3-methylaziridin-2-yl)pyridine is CCOC1(c2ccccn2)NC1C.
What is the InChIKey of 2-(2-ethoxy-3-methylaziridin-2-yl)pyridine?
The InChIKey is LJTFWTVYFZZOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-13-10(8(2)12-10)9-6-4-5-7-11-9/h4-8,12H,3H2,1-2H3.
What are the key properties of 2-(2-ethoxy-3-methylaziridin-2-yl)pyridine?
2-(2-ethoxy-3-methylaziridin-2-yl)pyridine has a molecular weight of 178.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-methylaziridin-2-yl)pyridine is sourced from PubChem (CID 154379007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).