furo[3,2-b]pyridine

• ChemBase ID: 78270
• Molecular Formular: C7H5NO
• Molecular Mass: 119.1207
• Monoisotopic Mass: 119.03711379
• SMILES: n1cccc2c1cco2
• Canonical SMILES: c1cnc2c(c1)occ2
• InChI: InChI=1S/C7H5NO/c1-2-7-6(8-4-1)3-5-9-7/h1-5H
• InChIKey: YRTCKZIKGWZNCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furo[3,2-b]pyridine
• IUPAC Traditional name: furo[3,2-b]pyridine
• Synonyms: Furo[3,2-b]pyridine; 4-Azabenzo[b]furan; Furo[3,2-b]pyridine; 呋喃并[3,2-b]吡啶

Database IDs

• CAS Number: 272-62-8
• MDL Number: MFCD11870744
• PubChem SID: 162043054
• PubChem CID: 12210217

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.297727
• LogD (pH = 7.4): 1.3005115
• Log P: 1.3005471
• Molar Refractivity: 32.3702 cm^3
• Polarizability: 13.832678 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 79-80°C/12mm; 79-80°C/12mm
• Refractive Index: 1.5753

Safety Information

• Storage Warning: Irritant/Store under Argon/Keep Cold
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 98%