4-chlorofuro[3,2-c]pyridine

• ChemBase ID: 68489
• Molecular Formular: C7H4ClNO
• Molecular Mass: 153.56576
• Monoisotopic Mass: 152.99814143
• SMILES: c1(c2c(ccn1)occ2)Cl
• Canonical SMILES: Clc1nccc2c1cco2
• InChI: InChI=1S/C7H4ClNO/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H
• InChIKey: OPFFYLJLHPZSEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chlorofuro[3,2-c]pyridine
• IUPAC Traditional name: 4-chlorofuro[3,2-c]pyridine
• Synonyms: 4-Chlorofuro[3,2-c]pyridine

Database IDs

• CAS Number: 31270-80-1
• MDL Number: MFCD02179768
• PubChem SID: 162034220
• PubChem CID: 2779746

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7389158
• LogD (pH = 7.4): 1.7389187
• Log P: 1.7389187
• Molar Refractivity: 38.6083 cm^3
• Polarizability: 15.751067 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32 - 34°C; 40-42°C
• Hydrophobicity(logP): 2.002

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%