5H-indeno[1,2-b]pyridine

• ChemBase ID: 181859
• Molecular Formular: C12H9N
• Molecular Mass: 167.20656
• Monoisotopic Mass: 167.07349929
• SMILES: c12c3c(Cc1cccn2)cccc3
• Canonical SMILES: c1ccc2c(c1)Cc1c2nccc1
• InChI: InChI=1S/C12H9N/c1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)11/h1-7H,8H2
• InChIKey: FWEHZHRUCQRSJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H-indeno[1,2-b]pyridine
• IUPAC Traditional name: 4-azafluorene

Database IDs

• PubChem SID: 164237769
• PubChem CID: 9205

CALCULATED PROPERTIES

• Acid pKa: 13.592015
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8705919
• LogD (pH = 7.4): 2.906715
• Log P: 2.9071972
• Molar Refractivity: 52.3445 cm^3
• Polarizability: 21.548244 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