5-bromo-2-phenylfuro[2,3-b]pyridine

• ChemBase ID: 297229
• Molecular Formular: C13H8BrNO
• Molecular Mass: 274.11272
• Monoisotopic Mass: 272.97892588
• SMILES: c1ccc(cc1)c1cc2cc(cnc2o1)Br
• Canonical SMILES: Brc1cnc2c(c1)cc(o2)c1ccccc1
• InChI: InChI=1S/C13H8BrNO/c14-11-6-10-7-12(16-13(10)15-8-11)9-4-2-1-3-5-9/h1-8H
• InChIKey: GDEUCQHGCNNNOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-phenylfuro[2,3-b]pyridine
• IUPAC Traditional name: 5-bromo-2-phenylfuro[2,3-b]pyridine
• Synonyms: 5-Bromo-2-phenylfuro[2,3-b]pyridine; 5-溴-2-苯基呋喃并[2,3-b]吡啶

Database IDs

• CAS Number: 431942-30-2
• MDL Number: MFCD18800802
• PubChem SID: 180682760
• PubChem CID: 12027793

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6181378
• LogD (pH = 7.4): 3.6181378
• Log P: 3.618138
• Molar Refractivity: 65.3313 cm^3
• Polarizability: 26.761553 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168-169°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%