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

• ChemBase ID: 173319
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: n1ccc2c(c1)cc([nH]2)C
• Canonical SMILES: Cc1cc2c([nH]1)ccnc2
• InChI: InChI=1S/C8H8N2/c1-6-4-7-5-9-3-2-8(7)10-6/h2-5,10H,1H3
• InChIKey: PSEAZIPYGNUYPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 113975-37-4
• PubChem SID: 164229229
• PubChem CID: 14047161

CALCULATED PROPERTIES

• Acid pKa: 14.902819
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.07406313
• LogD (pH = 7.4): 0.34810314
• Log P: 1.0538967
• Molar Refractivity: 40.1373 cm^3
• Polarizability: 16.465528 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 - M288660

An azaindole derivative used for the preparation of pyrrolopyridine derivatives for treating diseases mediated by prostaglandin D2 (PGD2).