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

• ChemBase ID: 77800
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: [nH]1c2c(cnc(c2)C)cc1
• Canonical SMILES: Cc1ncc2c(c1)[nH]cc2
• InChI: InChI=1S/C8H8N2/c1-6-4-8-7(5-10-6)2-3-9-8/h2-5,9H,1H3
• InChIKey: PCAVQKASMKODDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1H-pyrrolo[3,2-c]pyridine
• IUPAC Traditional name: 6-methyl-1H-pyrrolo[3,2-c]pyridine
• Synonyms: 6-Methyl-5-azaindole; 6-Methyl-1H-pyrrolo[3,2-c]pyridine

Database IDs

• CAS Number: 183586-34-7
• PubChem SID: 162042665
• PubChem CID: 10313151

CALCULATED PROPERTIES

• Acid pKa: 14.646649
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4605964
• LogD (pH = 7.4): -0.19491039
• Log P: 0.98570555
• Molar Refractivity: 39.5791 cm^3
• Polarizability: 16.466915 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant