2-(4-bromophenoxy)pyridine

• ChemBase ID: 92616
• Molecular Formular: C11H8BrNO
• Molecular Mass: 250.09132
• Monoisotopic Mass: 248.97892588
• SMILES: n1c(cccc1)Oc1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)Oc1ccccn1
• InChI: InChI=1S/C11H8BrNO/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h1-8H
• InChIKey: FOKJQGKEVMZAJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenoxy)pyridine
• IUPAC Traditional name: 2-(4-bromophenoxy)pyridine
• Synonyms: 2-(4-bromophenoxy)pyridine; 2-(4-Bromophenoxy)pyridine 97%

Database IDs

• CAS Number: 4783-82-8
• MDL Number: MFCD08435900
• PubChem SID: 162079314
• PubChem CID: 23201935

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6189523
• LogD (pH = 7.4): 3.6190693
• Log P: 3.6190708
• Molar Refractivity: 58.0782 cm^3
• Polarizability: 22.504292 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 116-118°C
• Hydrophobicity(logP): 3.606

Product Information

• Purity: 95%