3-methyl-9H-indeno[2,1-c]pyridine

• ChemBase ID: 182852
• Molecular Formular: C13H11N
• Molecular Mass: 181.23314
• Monoisotopic Mass: 181.08914936
• SMILES: c12c3c(Cc1cnc(c2)C)cccc3
• Canonical SMILES: Cc1ncc2c(c1)c1ccccc1C2
• InChI: InChI=1S/C13H11N/c1-9-6-13-11(8-14-9)7-10-4-2-3-5-12(10)13/h2-6,8H,7H2,1H3
• InChIKey: BFZOJLKTCKUREY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-9H-indeno[2,1-c]pyridine
• IUPAC Traditional name: 3-methyl-9H-indeno[2,1-c]pyridine

Database IDs

• PubChem SID: 164238762
• PubChem CID: 602426

CALCULATED PROPERTIES

• Acid pKa: 13.595591
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0728796
• LogD (pH = 7.4): 2.6360023
• Log P: 2.652717
• Molar Refractivity: 57.308 cm^3
• Polarizability: 23.305767 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds