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

• ChemBase ID: 86239
• Molecular Formular: C7H5N3O
• Molecular Mass: 147.1341
• Monoisotopic Mass: 147.0432618
• SMILES: n1c(c2cccnc2)ocn1
• Canonical SMILES: c1ccc(cn1)c1nnco1
• InChI: InChI=1S/C7H5N3O/c1-2-6(4-8-3-1)7-10-9-5-11-7/h1-5H
• InChIKey: WKTRMACWCCVROF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 18160-05-9
• MDL Number: MFCD00816745
• PubChem SID: 162073355
• PubChem CID: 4023165

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.24276946
• LogD (pH = 7.4): -0.23827432
• Log P: -0.23821664
• Molar Refractivity: 49.9283 cm^3
• Polarizability: 14.832705 Å^3
• Polar Surface Area: 51.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.795

Product Information

• Purity: 95%