2-bromo-3-(methoxymethoxy)pyridine

• ChemBase ID: 298110
• Molecular Formular: C7H8BrNO2
• Molecular Mass: 218.04792
• Monoisotopic Mass: 216.9738405
• SMILES: COCOc1cccnc1Br
• Canonical SMILES: COCOc1cccnc1Br
• InChI: InChI=1S/C7H8BrNO2/c1-10-5-11-6-3-2-4-9-7(6)8/h2-4H,5H2,1H3
• InChIKey: CATUEJFGWSUPBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-(methoxymethoxy)pyridine
• IUPAC Traditional name: 2-bromo-3-(methoxymethoxy)pyridine
• Synonyms: 2-Bromo-3-(methoxymethoxy)pyridine; 2-溴-3-(甲氧基甲氧基)吡啶

Database IDs

• CAS Number: 162271-10-5
• MDL Number: MFCD17015031
• PubChem SID: 180683641
• PubChem CID: 11586573

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6352849
• LogD (pH = 7.4): 1.635302
• Log P: 1.6353022
• Molar Refractivity: 44.6823 cm^3
• Polarizability: 17.484972 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 35-37°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%