2-(1,3,4-oxadiazol-2-yl)pyridine

• ChemBase ID: 260311
• Molecular Formular: C7H5N3O
• Molecular Mass: 147.1341
• Monoisotopic Mass: 147.0432618
• SMILES: c1(nnco1)c1ncccc1
• Canonical SMILES: c1ccc(nc1)c1nnco1
• InChI: InChI=1S/C7H5N3O/c1-2-4-8-6(3-1)7-10-9-5-11-7/h1-5H
• InChIKey: VALSWZGKGWLKDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3,4-oxadiazol-2-yl)pyridine
• IUPAC Traditional name: 2-(1,3,4-oxadiazol-2-yl)pyridine
• Synonyms: 2-(pyridin-2-yl)-1,3,4-oxadiazole

Database IDs

• MDL Number: MFCD12197169
• PubChem SID: 164316221
• PubChem CID: 268847

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.14763357
• LogD (pH = 7.4): 0.14763369
• Log P: 0.14763369
• Molar Refractivity: 49.5563 cm^3
• Polarizability: 14.840488 Å^3
• Polar Surface Area: 51.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 224 - 226°C
• Hydrophobicity(logP): -0.547

Product Information

• Purity: 95%