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

• ChemBase ID: 292524
• Molecular Formular: C10H12N2
• Molecular Mass: 160.21568
• Monoisotopic Mass: 160.10004839
• SMILES: CCCc1cc2c([nH]1)cncc2
• Canonical SMILES: CCCc1cc2c([nH]1)cncc2
• InChI: InChI=1S/C10H12N2/c1-2-3-9-6-8-4-5-11-7-10(8)12-9/h4-7,12H,2-3H2,1H3
• InChIKey: SRJPRDXEMAXPIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 882881-03-0
• PubChem SID: 180678055
• PubChem CID: 70701039

CALCULATED PROPERTIES

• Acid pKa: 14.753679
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7053099
• LogD (pH = 7.4): 2.0143857
• Log P: 2.0209877
• Molar Refractivity: 49.2623 cm^3
• Polarizability: 20.161999 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%