3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine

• ChemBase ID: 300271
• Molecular Formular: C10H9N3O
• Molecular Mass: 187.19796
• Monoisotopic Mass: 187.07456192
• SMILES: c1cc(cnc1)c1nc(on1)C1CC1
• Canonical SMILES: c1ccc(cn1)c1noc(n1)C1CC1
• InChI: InChI=1S/C10H9N3O/c1-2-8(6-11-5-1)9-12-10(14-13-9)7-3-4-7/h1-2,5-7H,3-4H2
• InChIKey: PLPXFMBPDVRIJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine
• IUPAC Traditional name: 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine
• Synonyms: 3-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine

Database IDs

• MDL Number: MFCD00264581

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8326046
• LogD (pH = 7.4): 1.8383356
• Log P: 1.8384093
• Molar Refractivity: 61.7682 cm^3
• Polarizability: 19.541382 Å^3
• Polar Surface Area: 51.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%