5-chlorofuro[3,2-b]pyridine

• ChemBase ID: 297123
• Molecular Formular: C7H4ClNO
• Molecular Mass: 153.56576
• Monoisotopic Mass: 152.99814143
• SMILES: c1cc(nc2c1occ2)Cl
• Canonical SMILES: Clc1ccc2c(n1)cco2
• InChI: InChI=1S/C7H4ClNO/c8-7-2-1-6-5(9-7)3-4-10-6/h1-4H
• InChIKey: LBJDELVHPFXIRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chlorofuro[3,2-b]pyridine
• IUPAC Traditional name: 5-chlorofuro[3,2-b]pyridine
• Synonyms: 5-Chlorofuro[3,2-b]pyridine; 5-氯呋喃基[3,2-b]吡啶

Database IDs

• MDL Number: MFCD15143869
• PubChem SID: 180682654
• PubChem CID: 10606968

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1247687
• LogD (pH = 7.4): 2.124769
• Log P: 2.124769
• Molar Refractivity: 38.2363 cm^3
• Polarizability: 15.744726 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51-53°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: 96%