5H,6H,7H-cyclopenta[b]pyridin-7-ol

• ChemBase ID: 286932
• Molecular Formular: C8H9NO
• Molecular Mass: 135.16316
• Monoisotopic Mass: 135.06841391
• SMILES: OC1CCc2cccnc12
• Canonical SMILES: OC1CCc2c1nccc2
• InChI: InChI=1S/C8H9NO/c10-7-4-3-6-2-1-5-9-8(6)7/h1-2,5,7,10H,3-4H2
• InChIKey: XLPDFBUFTAWCIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H-cyclopenta[b]pyridin-7-ol
• IUPAC Traditional name: 5H,6H,7H-cyclopenta[b]pyridin-7-ol
• Synonyms: 6,7-Dihydro-5H-cyclopenta[b]pyridin-7-ol

Database IDs

• CAS Number: 41598-71-4
• PubChem SID: 180672463
• PubChem CID: 13485286

CALCULATED PROPERTIES

• Acid pKa: 13.7880945
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.63744164
• LogD (pH = 7.4): 0.7642038
• Log P: 0.766109
• Molar Refractivity: 37.8507 cm^3
• Polarizability: 14.759685 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%