2-chloro-3-(5-methyl-1,2,4-oxadiazol-3-yl)-6-phenylpyridine

• ChemBase ID: 50748
• Molecular Formular: C14H10ClN3O
• Molecular Mass: 271.7017
• Monoisotopic Mass: 271.05123964
• SMILES: c1(nc(on1)C)c1c(nc(cc1)c1ccccc1)Cl
• Canonical SMILES: Cc1onc(n1)c1ccc(nc1Cl)c1ccccc1
• InChI: InChI=1S/C14H10ClN3O/c1-9-16-14(18-19-9)11-7-8-12(17-13(11)15)10-5-3-2-4-6-10/h2-8H,1H3
• InChIKey: HNFXGBWWRJNJRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-(5-methyl-1,2,4-oxadiazol-3-yl)-6-phenylpyridine
• IUPAC Traditional name: 2-chloro-3-(5-methyl-1,2,4-oxadiazol-3-yl)-6-phenylpyridine
• Synonyms: 2-Chloro-3-(5-methyl-1,2,4-oxadiazol-3-yl)-6-phenylpyridine

Database IDs

• MDL Number: MFCD14581652
• PubChem SID: 162055511
• PubChem CID: 50853276

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.024867
• LogD (pH = 7.4): 4.0248675
• Log P: 4.0248675
• Molar Refractivity: 84.9993 cm^3
• Polarizability: 29.480255 Å^3
• Polar Surface Area: 51.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 151 °C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%