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

• ChemBase ID: 297177
• Molecular Formular: C13H8ClNO
• Molecular Mass: 229.66172
• Monoisotopic Mass: 229.02944156
• SMILES: c1ccc(cc1)c1cc2c(o1)ccc(n2)Cl
• Canonical SMILES: Clc1ccc2c(n1)cc(o2)c1ccccc1
• InChI: InChI=1S/C13H8ClNO/c14-13-7-6-11-10(15-13)8-12(16-11)9-4-2-1-3-5-9/h1-8H
• InChIKey: XPTZPTVRNMXQEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-phenylfuro[3,2-b]pyridine
• IUPAC Traditional name: 5-chloro-2-phenylfuro[3,2-b]pyridine
• Synonyms: 5-Chloro-2-phenylfuro[3,2-b]pyridine; 5-氯-2-苯基呋喃并[3,2-b]吡啶

Database IDs

• MDL Number: MFCD20040115
• PubChem SID: 180682708
• PubChem CID: 73995157

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6919951
• LogD (pH = 7.4): 3.6919954
• Log P: 3.6919954
• Molar Refractivity: 63.25 cm^3
• Polarizability: 26.747671 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169-170°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: 97%