2-(4-bromophenoxy)-5-methylpyridine

• ChemBase ID: 258407
• Molecular Formular: C12H10BrNO
• Molecular Mass: 264.1179
• Monoisotopic Mass: 262.99457595
• SMILES: n1c(Oc2ccc(Br)cc2)ccc(c1)C
• Canonical SMILES: Brc1ccc(cc1)Oc1ccc(cn1)C
• InChI: InChI=1S/C12H10BrNO/c1-9-2-7-12(14-8-9)15-11-5-3-10(13)4-6-11/h2-8H,1H3
• InChIKey: RZXUVVWLPHZLQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenoxy)-5-methylpyridine
• IUPAC Traditional name: 2-(4-bromophenoxy)-5-methylpyridine
• Synonyms: 2-(4-bromophenoxy)-5-methylpyridine

Database IDs

• MDL Number: MFCD09938980
• PubChem SID: 164314317
• PubChem CID: 24700025

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1321735
• LogD (pH = 7.4): 4.1324883
• Log P: 4.132492
• Molar Refractivity: 63.1194 cm^3
• Polarizability: 24.256191 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.105

Product Information

• Purity: 95%