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

• ChemBase ID: 292525
• Molecular Formular: C8H9ClN2
• Molecular Mass: 168.62346
• Monoisotopic Mass: 168.04542598
• SMILES: Cl.Cc1cc2c([nH]1)cncc2
• Canonical SMILES: Cc1cc2c([nH]1)cncc2.Cl
• InChI: InChI=1S/C8H8N2.ClH/c1-6-4-7-2-3-9-5-8(7)10-6;/h2-5,10H,1H3;1H
• InChIKey: HJVOHNRNTOJJPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 65645-60-5
• PubChem SID: 180678056
• PubChem CID: 71463655

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+%