5-bromo-2-(4-fluorophenyl)furo[2,3-b]pyridine

• ChemBase ID: 297277
• Molecular Formular: C13H7BrFNO
• Molecular Mass: 292.1031832
• Monoisotopic Mass: 290.96950407
• SMILES: c1cc(ccc1c1cc2cc(cnc2o1)Br)F
• Canonical SMILES: Fc1ccc(cc1)c1cc2c(o1)ncc(c2)Br
• InChI: InChI=1S/C13H7BrFNO/c14-10-5-9-6-12(17-13(9)16-7-10)8-1-3-11(15)4-2-8/h1-7H
• InChIKey: WOTRDFJSZNXCEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(4-fluorophenyl)furo[2,3-b]pyridine
• IUPAC Traditional name: 5-bromo-2-(4-fluorophenyl)furo[2,3-b]pyridine
• Synonyms: 5-Bromo-2-(4-fluorophenyl)furo[2,3-b]pyridine; 5-溴-2-(4-氟苯基)呋喃并[2,3-b]吡啶

Database IDs

• CAS Number: 1215106-68-5
• MDL Number: MFCD18800804
• PubChem SID: 180682808
• PubChem CID: 59233714

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.76084
• LogD (pH = 7.4): 3.76084
• Log P: 3.76084
• Molar Refractivity: 65.5477 cm^3
• Polarizability: 26.48869 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178-180°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%