3-bromo-2,6-dimethoxypyridine

• ChemBase ID: 296486
• Molecular Formular: C7H8BrNO2
• Molecular Mass: 218.04792
• Monoisotopic Mass: 216.9738405
• SMILES: COc1ccc(c(n1)OC)Br
• Canonical SMILES: COc1ccc(c(n1)OC)Br
• InChI: InChI=1S/C7H8BrNO2/c1-10-6-4-3-5(8)7(9-6)11-2/h3-4H,1-2H3
• InChIKey: UUTYQBCAEWGFQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2,6-dimethoxypyridine
• IUPAC Traditional name: 3-bromo-2,6-dimethoxypyridine
• Synonyms: 3-Bromo-2,6-dimethoxypyridine; 3-BROMO-2,6-DIMETHOXYPYRIDINE; 3-溴-2,6-二甲氧基吡啶

Database IDs

• CAS Number: 13445-16-4
• MDL Number: MFCD08669938
• PubChem SID: 180682017
• PubChem CID: 642860

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3978972
• LogD (pH = 7.4): 2.3978984
• Log P: 2.3978984
• Molar Refractivity: 45.0773 cm^3
• Polarizability: 17.43085 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

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: 98%