3-bromo-6-methoxy-2-methylpyridine

• ChemBase ID: 29917
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: c1c(nc(c(c1)Br)C)OC
• Canonical SMILES: COc1ccc(c(n1)C)Br
• InChI: InChI=1S/C7H8BrNO/c1-5-6(8)3-4-7(9-5)10-2/h3-4H,1-2H3
• InChIKey: VWNXCCTWVAQAPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-methoxy-2-methylpyridine
• IUPAC Traditional name: 3-bromo-6-methoxy-2-methylpyridine
• Synonyms: 3-Bromo-6-methoxy-2-methylpyridine; 3-Bromo-6-methoxy-2-picoline; 5-Bromo-2-methoxy-6-picoline; 5-Bromo-2-methoxy-6-methylpyridine; 3-Bromo-6-methoxy-2-picoline

Database IDs

• CAS Number: 126717-59-7
• MDL Number: MFCD03094943
• PubChem SID: 160993224
• PubChem CID: 10798146

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0923154
• LogD (pH = 7.4): 2.0924804
• Log P: 2.0924826
• Molar Refractivity: 42.8921 cm^3
• Polarizability: 16.589167 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.868

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%; 98%