2-bromo-5-ethoxypyridine

• ChemBase ID: 87830
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: n1c(ccc(c1)OCC)Br
• Canonical SMILES: CCOc1ccc(nc1)Br
• InChI: InChI=1S/C7H8BrNO/c1-2-10-6-3-4-7(8)9-5-6/h3-5H,2H2,1H3
• InChIKey: RXVSMILQHDQEDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-ethoxypyridine
• IUPAC Traditional name: 2-bromo-5-ethoxypyridine
• Synonyms: 2-Bromo-5-ethoxypyridine

Database IDs

• CAS Number: 42834-01-5
• MDL Number: MFCD09260481
• PubChem SID: 162074870
• PubChem CID: 23436892

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9289681
• LogD (pH = 7.4): 1.9289845
• Log P: 1.9289848
• Molar Refractivity: 43.5779 cm^3
• Polarizability: 16.702105 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 47-48°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon