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

• ChemBase ID: 298619
• Molecular Formular: C8H7N3O
• Molecular Mass: 161.16068
• Monoisotopic Mass: 161.05891186
• SMILES: Cc1nc(no1)c1ccccn1
• Canonical SMILES: Cc1onc(n1)c1ccccn1
• InChI: InChI=1S/C8H7N3O/c1-6-10-8(11-12-6)7-4-2-3-5-9-7/h2-5H,1H3
• InChIKey: HIYXDTYFKNXLFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine
• IUPAC Traditional name: 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine
• Synonyms: 5-Methyl-3-(2-pyridyl)-1,2,4-oxadiazole; 5-甲基-3-(2-吡啶基)-1,2,4-恶二唑

Database IDs

• MDL Number: MFCD20257806
• PubChem SID: 180684150
• PubChem CID: 268849

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5103252
• LogD (pH = 7.4): 1.5103252
• Log P: 1.5103252
• Molar Refractivity: 53.997 cm^3
• Polarizability: 16.597471 Å^3
• Polar Surface Area: 51.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• 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%