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

• ChemBase ID: 259937
• Molecular Formular: C7H5N3O
• Molecular Mass: 147.1341
• Monoisotopic Mass: 147.0432618
• SMILES: c1(nnco1)c1ccncc1
• Canonical SMILES: n1ccc(cc1)c1nnco1
• InChI: InChI=1S/C7H5N3O/c1-3-8-4-2-6(1)7-10-9-5-11-7/h1-5H
• InChIKey: UTYDSRLFMRPPHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 64001-70-3
• MDL Number: MFCD00222170
• PubChem SID: 164315847
• PubChem CID: 775636

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.23851278
• LogD (pH = 7.4): -0.23822036
• Log P: -0.23821664
• Molar Refractivity: 49.9283 cm^3
• Polarizability: 14.831631 Å^3
• Polar Surface Area: 51.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): -0.757

Product Information

• Purity: 95%