2,4-bis(oxiran-2-ylmethoxy)pyridine

C11H13NO4 — CID 129186899

IUPAC2,4-bis(oxiran-2-ylmethoxy)pyridine
SMILESc1cc(OCC2CO2)cc(OCC2CO2)n1
InChIInChI=1S/C11H13NO4/c1-2-12-11(16-7-10-6-15-10)3-8(1)13-4-9-5-14-9/h1-3,9-10H,4-7H2
InChIKeyWAGQXOXBTQZQFU-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.64
Rot. Bonds6

About 2,4-bis(oxiran-2-ylmethoxy)pyridine

2,4-bis(oxiran-2-ylmethoxy)pyridine (PubChem CID 129186899) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2,4-bis(oxiran-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name2,4-bis(oxiran-2-ylmethoxy)pyridine
PubChem CID129186899
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2,4-bis(oxiran-2-ylmethoxy)pyridine
SMILESc1cc(OCC2CO2)cc(OCC2CO2)n1
InChIInChI=1S/C11H13NO4/c1-2-12-11(16-7-10-6-15-10)3-8(1)13-4-9-5-14-9/h1-3,9-10H,4-7H2
InChIKeyWAGQXOXBTQZQFU-UHFFFAOYSA-N
XLogP0.64
TPSA56.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2,4-bis(oxiran-2-ylmethoxy)pyridine?
The IUPAC name of 2,4-bis(oxiran-2-ylmethoxy)pyridine (CID 129186899) is 2,4-bis(oxiran-2-ylmethoxy)pyridine.
What is the SMILES notation for 2,4-bis(oxiran-2-ylmethoxy)pyridine?
The canonical SMILES for 2,4-bis(oxiran-2-ylmethoxy)pyridine is c1cc(OCC2CO2)cc(OCC2CO2)n1.
What is the InChIKey of 2,4-bis(oxiran-2-ylmethoxy)pyridine?
The InChIKey is WAGQXOXBTQZQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-2-12-11(16-7-10-6-15-10)3-8(1)13-4-9-5-14-9/h1-3,9-10H,4-7H2.
What are the key properties of 2,4-bis(oxiran-2-ylmethoxy)pyridine?
2,4-bis(oxiran-2-ylmethoxy)pyridine has a molecular weight of 223.23 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(oxiran-2-ylmethoxy)pyridine is sourced from PubChem (CID 129186899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).