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

• ChemBase ID: 309505
• Molecular Formular: C8H10N2
• Molecular Mass: 134.1784
• Monoisotopic Mass: 134.08439833
• SMILES: n1cc2c(cc1C)CNC2
• Canonical SMILES: Cc1ncc2c(c1)CNC2
• InChI: InChI=1S/C8H10N2/c1-6-2-7-3-9-4-8(7)5-10-6/h2,5,9H,3-4H2,1H3
• InChIKey: HBTILVDMCCFBMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1H,2H,3H-pyrrolo[3,4-c]pyridine
• IUPAC Traditional name: 6-methyl-1H,2H,3H-pyrrolo[3,4-c]pyridine
• Synonyms: 6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine

Database IDs

• CAS Number: 69958-53-8
• MDL Number: MFCD13175997

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8346887
• LogD (pH = 7.4): -1.3423992
• Log P: 0.19651969
• Molar Refractivity: 40.2952 cm^3
• Polarizability: 15.674307 Å^3
• Polar Surface Area: 24.92 Å^2