2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine

C15H15NO2 — CID 12919852

IUPAC2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine
SMILESc1ccc(Cc2cccc(OCC3CO3)c2)nc1
InChIInChI=1S/C15H15NO2/c1-2-7-16-13(5-1)8-12-4-3-6-14(9-12)17-10-15-11-18-15/h1-7,9,15H,8,10-11H2
InChIKeyLUROQYFASUSODA-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.45
Rot. Bonds5

About 2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine

2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine (PubChem CID 12919852) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine.

Molecular Properties

Compound Name2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine
PubChem CID12919852
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine
SMILESc1ccc(Cc2cccc(OCC3CO3)c2)nc1
InChIInChI=1S/C15H15NO2/c1-2-7-16-13(5-1)8-12-4-3-6-14(9-12)17-10-15-11-18-15/h1-7,9,15H,8,10-11H2
InChIKeyLUROQYFASUSODA-UHFFFAOYSA-N
XLogP2.45
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
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-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine?
The IUPAC name of 2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine (CID 12919852) is 2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine.
What is the SMILES notation for 2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine?
The canonical SMILES for 2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine is c1ccc(Cc2cccc(OCC3CO3)c2)nc1.
What is the InChIKey of 2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine?
The InChIKey is LUROQYFASUSODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-7-16-13(5-1)8-12-4-3-6-14(9-12)17-10-15-11-18-15/h1-7,9,15H,8,10-11H2.
What are the key properties of 2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine?
2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine has a molecular weight of 241.29 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine is sourced from PubChem (CID 12919852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).