2-bromo-6-propoxypyridine

• ChemBase ID: 815996
• Molecular Formular: C8H10BrNO
• Molecular Mass: 216.0751
• Monoisotopic Mass: 214.99457595
• SMILES: n1c(cccc1OCCC)Br
• Canonical SMILES: CCCOc1cccc(n1)Br
• InChI: InChI=1S/C8H10BrNO/c1-2-6-11-8-5-3-4-7(9)10-8/h3-5H,2,6H2,1H3
• InChIKey: JROFSFBGPCHTHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-propoxypyridine
• IUPAC Traditional name: 2-bromo-6-propoxypyridine
• Synonyms: 2-BROMO-6-PROPOXYPYRIDINE

Database IDs

• CAS Number: 891842-82-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0459645
• LogD (pH = 7.4): 3.0459647
• Log P: 3.0459647
• Molar Refractivity: 48.4154 cm^3
• Polarizability: 18.51389 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%