1H,2H,3H-pyrrolo[3,4-c]pyridine

• ChemBase ID: 282360
• Molecular Formular: C7H8N2
• Molecular Mass: 120.15182
• Monoisotopic Mass: 120.06874827
• SMILES: N1Cc2c(C1)ccnc2
• Canonical SMILES: c1ncc2c(c1)CNC2
• InChI: InChI=1S/C7H8N2/c1-2-8-4-7-5-9-3-6(1)7/h1-2,4,9H,3,5H2
• InChIKey: HIACNNDCIUUION-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,2H,3H-pyrrolo[3,4-c]pyridine
• IUPAC Traditional name: 1H,2H,3H-pyrrolo[3,4-c]pyridine
• Synonyms: 2,3-Dihydro-1H-pyrrolo[3,4-c]pyridine; 1H,2H,3H-pyrrolo[3,4-c]pyridine

Database IDs

• CAS Number: 496-13-9
• MDL Number: MFCD06858479
• PubChem SID: 180667891
• PubChem CID: 1519417

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9384012
• LogD (pH = 7.4): -1.417631
• Log P: 0.06514952
• Molar Refractivity: 35.7037 cm^3
• Polarizability: 13.9073515 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%; 95+%