3-bromo-2-propoxypyridine

• ChemBase ID: 290587
• Molecular Formular: C8H10BrNO
• Molecular Mass: 216.0751
• Monoisotopic Mass: 214.99457595
• SMILES: CCCOc1ncccc1Br
• Canonical SMILES: CCCOc1ncccc1Br
• InChI: InChI=1S/C8H10BrNO/c1-2-6-11-8-7(9)4-3-5-10-8/h3-5H,2,6H2,1H3
• InChIKey: VURGFTJAQHGGOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-propoxypyridine
• IUPAC Traditional name: 3-bromo-2-propoxypyridine
• Synonyms: 3-Bromo-2-propoxypyridine

Database IDs

• CAS Number: 760207-92-9
• PubChem SID: 180676118
• PubChem CID: 22591101

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8404143
• LogD (pH = 7.4): 2.8404422
• Log P: 2.8404427
• Molar Refractivity: 47.5732 cm^3
• Polarizability: 18.471823 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%