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

• ChemBase ID: 297250
• Molecular Formular: C14H10BrNO2
• Molecular Mass: 304.1387
• Monoisotopic Mass: 302.98949057
• SMILES: COc1ccc(cc1)c1cc2cc(cnc2o1)Br
• Canonical SMILES: COc1ccc(cc1)c1cc2c(o1)ncc(c2)Br
• InChI: InChI=1S/C14H10BrNO2/c1-17-12-4-2-9(3-5-12)13-7-10-6-11(15)8-16-14(10)18-13/h2-8H,1H3
• InChIKey: WWILJVHMJKXSCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18800803
• PubChem SID: 180682781
• PubChem CID: 73995169

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4604666
• LogD (pH = 7.4): 3.4604666
• Log P: 3.4604666
• Molar Refractivity: 71.7945 cm^3
• Polarizability: 29.297363 Å^3
• Polar Surface Area: 35.26 Å^2
• Rotatable Bonds: 2
• 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%