3-bromo-5-propoxypyridine

• ChemBase ID: 290645
• Molecular Formular: C8H10BrNO
• Molecular Mass: 216.0751
• Monoisotopic Mass: 214.99457595
• SMILES: CCCOc1cncc(Br)c1
• Canonical SMILES: CCCOc1cncc(c1)Br
• InChI: InChI=1S/C8H10BrNO/c1-2-3-11-8-4-7(9)5-10-6-8/h4-6H,2-3H2,1H3
• InChIKey: RPZVZCUMJDFFTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-propoxypyridine
• IUPAC Traditional name: 3-bromo-5-propoxypyridine
• Synonyms: 3-Bromo-5-propoxypyridine

Database IDs

• CAS Number: 370879-78-0
• PubChem SID: 180676176
• PubChem CID: 22646846

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2445216
• LogD (pH = 7.4): 2.2459667
• Log P: 2.245985
• Molar Refractivity: 47.2597 cm^3
• Polarizability: 18.462185 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%