3-bromo-2-ethoxypyridine

• ChemBase ID: 71271
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: c1cnc(c(c1)Br)OCC
• Canonical SMILES: CCOc1ncccc1Br
• InChI: InChI=1S/C7H8BrNO/c1-2-10-7-6(8)4-3-5-9-7/h3-5H,2H2,1H3
• InChIKey: KLQBFCAXXZMOLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-ethoxypyridine
• IUPAC Traditional name: 3-bromo-2-ethoxypyridine
• Synonyms: 3-Bromo-2-ethoxypyridine; 3-Bromo-2-ethoxypyridine; 3-溴-2-乙氧基吡啶

Database IDs

• CAS Number: 57883-25-7
• MDL Number: MFCD00234309
• PubChem SID: 162036861
• PubChem CID: 10987308

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3178916
• LogD (pH = 7.4): 2.31792
• Log P: 2.3179202
• Molar Refractivity: 43.0492 cm^3
• Polarizability: 16.6635 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%; 98%