2-phenyl-4H,5H,6H,7H-furo[2,3-c]pyridine hydrochloride

• ChemBase ID: 285900
• Molecular Formular: C13H14ClNO
• Molecular Mass: 235.70936
• Monoisotopic Mass: 235.07639175
• SMILES: c1(oc2c(c1)CCNC2)c1ccccc1.Cl
• Canonical SMILES: c1ccc(cc1)c1cc2c(o1)CNCC2.Cl
• InChI: InChI=1S/C13H13NO.ClH/c1-2-4-10(5-3-1)12-8-11-6-7-14-9-13(11)15-12;/h1-5,8,14H,6-7,9H2;1H
• InChIKey: LGIIFZPWSIRNML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-4H,5H,6H,7H-furo[2,3-c]pyridine hydrochloride
• IUPAC Traditional name: 2-phenyl-4H,5H,6H,7H-furo[2,3-c]pyridine hydrochloride
• Synonyms: 2-phenyl-4H,5H,6H,7H-furo[2,3-c]pyridine hydrochloride

Database IDs

• MDL Number: MFCD21602661
• PubChem SID: 180671431
• PubChem CID: 13565246

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.45884982
• LogD (pH = 7.4): 1.2601036
• Log P: 2.1989563
• Molar Refractivity: 60.0202 cm^3
• Polarizability: 24.449396 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 246 - 248°C
• Hydrophobicity(logP): 2.869

Product Information

• Purity: 95%