2-bromo-6-ethoxypyridine

• ChemBase ID: 90146
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: n1c(cccc1Br)OCC
• Canonical SMILES: CCOc1cccc(n1)Br
• InChI: InChI=1S/C7H8BrNO/c1-2-10-7-5-3-4-6(8)9-7/h3-5H,2H2,1H3
• InChIKey: UOYDOTUNXZKLMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-ethoxypyridine
• IUPAC Traditional name: 2-bromo-6-ethoxypyridine
• Synonyms: 2-Bromo-6-ethoxypyridine

Database IDs

• CAS Number: 4645/11/8; 4645-11-8
• PubChem SID: 162077000
• PubChem CID: 1201018

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.523442
• LogD (pH = 7.4): 2.5234423
• Log P: 2.5234423
• Molar Refractivity: 43.8914 cm^3
• Polarizability: 16.705023 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%