3-bromo-2-cyclobutoxypyridine

• ChemBase ID: 276530
• Molecular Formular: C9H10BrNO
• Molecular Mass: 228.0858
• Monoisotopic Mass: 226.99457595
• SMILES: c1(OC2CCC2)ncccc1Br
• Canonical SMILES: Brc1cccnc1OC1CCC1
• InChI: InChI=1S/C9H10BrNO/c10-8-5-2-6-11-9(8)12-7-3-1-4-7/h2,5-7H,1,3-4H2
• InChIKey: FFKOZSRDMOJHEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-cyclobutoxypyridine
• IUPAC Traditional name: 3-bromo-2-cyclobutoxypyridine
• Synonyms: 3-bromo-2-cyclobutoxypyridine

Database IDs

• MDL Number: MFCD16684658
• PubChem SID: 164332440
• PubChem CID: 53621877

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8712194
• LogD (pH = 7.4): 2.8712451
• Log P: 2.8712454
• Molar Refractivity: 50.1128 cm^3
• Polarizability: 19.586205 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.052

Product Information

• Purity: 95%