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

• ChemBase ID: 173318
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: c1ccc2c(n1)cc([nH]2)C
• Canonical SMILES: Cc1cc2c([nH]1)cccn2
• InChI: InChI=1S/C8H8N2/c1-6-5-8-7(10-6)3-2-4-9-8/h2-5,10H,1H3
• InChIKey: FTDBLXOLABKXNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1H-pyrrolo[3,2-b]pyridine
• IUPAC Traditional name: 2-methyl-1H-pyrrolo[3,2-b]pyridine
• Synonyms: 2-Methyl-1H-pyrrolo[3,2-b]pyridine; 2-Methyl-4-azaindole; 2-Methyl-1H-pyrrolo[3,2-b]pyridine

Database IDs

• CAS Number: 73177-35-2
• PubChem SID: 164229228
• PubChem CID: 11586310

CALCULATED PROPERTIES

• Acid pKa: 14.638398
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3883431
• LogD (pH = 7.4): 1.4390565
• Log P: 1.439747
• Molar Refractivity: 39.7653 cm^3
• Polarizability: 16.472631 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%

DETAILS

Toronto Research Chemicals - M288655

An intermediate used for the synthesis of pyrrolo[3,2-b]pyridinylalkyl benzamide derivatives as platelet aggregation inhibitors.