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

• ChemBase ID: 286982
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: Cc1ccc2c([nH]cc2)n1
• Canonical SMILES: Cc1ccc2c(n1)[nH]cc2
• InChI: InChI=1S/C8H8N2/c1-6-2-3-7-4-5-9-8(7)10-6/h2-5H,1H3,(H,9,10)
• InChIKey: YQDMUZFABFBKJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1H-pyrrolo[2,3-b]pyridine
• IUPAC Traditional name: 6-methyl-1H-pyrrolo[2,3-b]pyridine
• Synonyms: 6-Methyl-1H-pyrrolo[2,3-b]pyridine

Database IDs

• CAS Number: 824-51-1
• PubChem SID: 180672513
• PubChem CID: 11457716

CALCULATED PROPERTIES

• Acid pKa: 15.65612
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1634066
• LogD (pH = 7.4): 1.3501333
• Log P: 1.3531677
• Molar Refractivity: 39.5317 cm^3
• Polarizability: 15.7625675 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%