4-(2-phenyloxiran-2-yl)pyridine

C13H11NO — CID 83392689

IUPAC4-(2-phenyloxiran-2-yl)pyridine
SMILESc1ccc(C2(c3ccncc3)CO2)cc1
InChIInChI=1S/C13H11NO/c1-2-4-11(5-3-1)13(10-15-13)12-6-8-14-9-7-12/h1-9H,10H2
InChIKeyQLYJGCQIBUUWFO-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.36
Rot. Bonds2

About 4-(2-phenyloxiran-2-yl)pyridine

4-(2-phenyloxiran-2-yl)pyridine (PubChem CID 83392689) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(2-phenyloxiran-2-yl)pyridine.

Molecular Properties

Compound Name4-(2-phenyloxiran-2-yl)pyridine
PubChem CID83392689
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name4-(2-phenyloxiran-2-yl)pyridine
SMILESc1ccc(C2(c3ccncc3)CO2)cc1
InChIInChI=1S/C13H11NO/c1-2-4-11(5-3-1)13(10-15-13)12-6-8-14-9-7-12/h1-9H,10H2
InChIKeyQLYJGCQIBUUWFO-UHFFFAOYSA-N
XLogP2.36
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-phenyloxiran-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyloxiran-2-yl)pyridine?
The IUPAC name of 4-(2-phenyloxiran-2-yl)pyridine (CID 83392689) is 4-(2-phenyloxiran-2-yl)pyridine.
What is the SMILES notation for 4-(2-phenyloxiran-2-yl)pyridine?
The canonical SMILES for 4-(2-phenyloxiran-2-yl)pyridine is c1ccc(C2(c3ccncc3)CO2)cc1.
What is the InChIKey of 4-(2-phenyloxiran-2-yl)pyridine?
The InChIKey is QLYJGCQIBUUWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-2-4-11(5-3-1)13(10-15-13)12-6-8-14-9-7-12/h1-9H,10H2.
What are the key properties of 4-(2-phenyloxiran-2-yl)pyridine?
4-(2-phenyloxiran-2-yl)pyridine has a molecular weight of 197.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyloxiran-2-yl)pyridine is sourced from PubChem (CID 83392689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).