5H,6H,7H-pyrrolo[3,4-b]pyridine

• ChemBase ID: 274129
• Molecular Formular: C7H8N2
• Molecular Mass: 120.15182
• Monoisotopic Mass: 120.06874827
• SMILES: N1Cc2c(nccc2)C1
• Canonical SMILES: c1cnc2c(c1)CNC2
• InChI: InChI=1S/C7H8N2/c1-2-6-4-8-5-7(6)9-3-1/h1-3,8H,4-5H2
• InChIKey: SJMNQXLXIIXDDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H-pyrrolo[3,4-b]pyridine
• IUPAC Traditional name: 5H,6H,7H-pyrrolo[3,4-b]pyridine
• Synonyms: 5H,6H,7H-pyrrolo[3,4-b]pyridine

Database IDs

• MDL Number: MFCD06858478
• PubChem SID: 164330039
• PubChem CID: 1519416

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3436458
• LogD (pH = 7.4): -0.6094821
• Log P: 0.1466214
• Molar Refractivity: 35.1815 cm^3
• Polarizability: 13.908452 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.461

Product Information

• Purity: 95%