3-bromo-5-methyl-2-(2-methylpropoxy)pyridine

• ChemBase ID: 290917
• Molecular Formular: C10H14BrNO
• Molecular Mass: 244.12826
• Monoisotopic Mass: 243.02587607
• SMILES: Cc1cnc(OCC(C)C)c(Br)c1
• Canonical SMILES: CC(COc1ncc(cc1Br)C)C
• InChI: InChI=1S/C10H14BrNO/c1-7(2)6-13-10-9(11)4-8(3)5-12-10/h4-5,7H,6H2,1-3H3
• InChIKey: DKFRYGABMPQDQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-methyl-2-(2-methylpropoxy)pyridine
• IUPAC Traditional name: 3-bromo-5-methyl-2-(2-methylpropoxy)pyridine
• Synonyms: 3-Bromo-2-isobutoxy-5-methylpyridine

Database IDs

• CAS Number: 1255574-44-7
• PubChem SID: 180676448
• PubChem CID: 53217412

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7187603
• LogD (pH = 7.4): 3.7188358
• Log P: 3.7188368
• Molar Refractivity: 57.086 cm^3
• Polarizability: 22.03192 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%