5-bromo-2-methoxy-3-methylpyridine

• ChemBase ID: 70804
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: c1(c(cc(cn1)Br)C)OC
• Canonical SMILES: COc1ncc(cc1C)Br
• InChI: InChI=1S/C7H8BrNO/c1-5-3-6(8)4-9-7(5)10-2/h3-4H,1-2H3
• InChIKey: RHYCFMXPPGZHAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-methoxy-3-methylpyridine
• IUPAC Traditional name: 5-bromo-2-methoxy-3-methylpyridine
• Synonyms: 5-Bromo-2-methoxy-3-picoline; 5-Bromo-2-methoxy-3-methylpyridine; 5-Bromo-2-methoxy-3-methylpyridine; 5-溴-2-甲氧基-3-甲基吡啶

Database IDs

• CAS Number: 760207-87-2
• MDL Number: MFCD07375124
• PubChem SID: 162036514
• PubChem CID: 22591176

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.474463
• LogD (pH = 7.4): 2.4745328
• Log P: 2.4745336
• Molar Refractivity: 43.3418 cm^3
• Polarizability: 16.588634 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5540

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 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: 95+%; 97%; 98%