4-chlorofuro[3,2-c]pyridine hydrochloride

• ChemBase ID: 64926
• Molecular Formular: C7H5Cl2NO
• Molecular Mass: 190.0267
• Monoisotopic Mass: 188.97481915
• SMILES: n1ccc2occc2c1Cl.Cl
• Canonical SMILES: Clc1nccc2c1cco2.Cl
• InChI: InChI=1S/C7H4ClNO.ClH/c8-7-5-2-4-10-6(5)1-3-9-7;/h1-4H;1H
• InChIKey: NJGPVZNZLKZTAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1187830-64-3; 31270-80-1
• MDL Number: MFCD12400780
• PubChem SID: 162030665
• PubChem CID: 56776992

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%