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

• ChemBase ID: 294305
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: Cc1cc2c([nH]1)cncc2
• Canonical SMILES: Cc1cc2c([nH]1)cncc2
• InChI: InChI=1S/C8H8N2/c1-6-4-7-2-3-9-5-8(7)10-6/h2-5,10H,1H3
• InChIKey: UVVMDRQBWSQEKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 65645-56-9
• PubChem SID: 180679836
• PubChem CID: 12407505

CALCULATED PROPERTIES

• Acid pKa: 14.906254
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.72959304
• LogD (pH = 7.4): 1.0470035
• Log P: 1.0538967
• Molar Refractivity: 40.1373 cm^3
• Polarizability: 16.468777 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%