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

• ChemBase ID: 63528
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: c12[nH]c(C)cc1cccn2
• Canonical SMILES: Cc1cc2c([nH]1)nccc2
• InChI: InChI=1S/C8H8N2/c1-6-5-7-3-2-4-9-8(7)10-6/h2-5H,1H3,(H,9,10)
• InChIKey: XDHFUUVUHNOJEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1H-pyrrolo[2,3-b]pyridine
• IUPAC Traditional name: 2-methyl-1H-pyrrolo[2,3-b]pyridine
• Synonyms: 2-Methyl-1H-pyrrolo[2,3-b]pyridine; 2-Methyl-7-azaindole

Database IDs

• CAS Number: 23612-48-8
• MDL Number: MFCD08669524
• PubChem SID: 162029267
• PubChem CID: 583066

CALCULATED PROPERTIES

• Acid pKa: 15.943593
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3825561
• LogD (pH = 7.4): 1.4208437
• Log P: 1.4213587
• Molar Refractivity: 40.0899 cm^3
• Polarizability: 15.760748 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 98%