2-(3-bromophenoxy)pyridine

• ChemBase ID: 78572
• Molecular Formular: C11H8BrNO
• Molecular Mass: 250.09132
• Monoisotopic Mass: 248.97892588
• SMILES: n1c(cccc1)Oc1cccc(c1)Br
• Canonical SMILES: Brc1cccc(c1)Oc1ccccn1
• InChI: InChI=1S/C11H8BrNO/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h1-8H
• InChIKey: CXEIVVAAUANDIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-bromophenoxy)pyridine
• IUPAC Traditional name: 2-(3-bromophenoxy)pyridine
• Synonyms: 2-(3-bromophenoxy)pyridine; 1-Bromo-3-[(pyridin-2-yl)oxy]benzene; 3-Bromophenyl pyridin-2-yl ether; 2-(3-Bromophenoxy)pyridine 97+%

Database IDs

• CAS Number: 92545-83-0
• MDL Number: MFCD08741430
• PubChem SID: 162043335
• PubChem CID: 21616612

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.618953
• LogD (pH = 7.4): 3.6190693
• Log P: 3.6190708
• Molar Refractivity: 58.0782 cm^3
• Polarizability: 22.504604 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 63-64°C

Safety Information

• Storage Warning: Toxic/Harmful/Irritant/Light Sensitive/Store under Argon

Product Information

• Purity: 97%