5H,6H,7H-cyclopenta[b]pyridin-2-ol

• ChemBase ID: 253367
• Molecular Formular: C8H9NO
• Molecular Mass: 135.16316
• Monoisotopic Mass: 135.06841391
• SMILES: n1c2c(ccc1O)CCC2
• Canonical SMILES: Oc1ccc2c(n1)CCC2
• InChI: InChI=1S/C8H9NO/c10-8-5-4-6-2-1-3-7(6)9-8/h4-5H,1-3H2,(H,9,10)
• InChIKey: GXXRRIYKTZNCNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H-cyclopenta[b]pyridin-2-ol
• IUPAC Traditional name: 5H,6H,7H-cyclopenta[b]pyridin-2-ol
• Synonyms: 6,7-dihydro-5H-cyclopenta[b]pyridin-2-ol

Database IDs

• CAS Number: 88499-85-8
• MDL Number: MFCD09040473
• PubChem SID: 164309277
• PubChem CID: 289261

CALCULATED PROPERTIES

• Acid pKa: 12.23397
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9280578
• LogD (pH = 7.4): 1.9280607
• Log P: 1.9280671
• Molar Refractivity: 38.6529 cm^3
• Polarizability: 14.676013 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 35 - 39°C
• Hydrophobicity(logP): 0.441

Product Information

• Purity: 95%