2-(pyridin-2-yl)-1H-indol-3-ol

• ChemBase ID: 282183
• Molecular Formular: C13H10N2O
• Molecular Mass: 210.2313
• Monoisotopic Mass: 210.07931295
• SMILES: c1([nH]c2c(c1O)cccc2)c1ncccc1
• Canonical SMILES: Oc1c([nH]c2c1cccc2)c1ccccn1
• InChI: InChI=1S/C13H10N2O/c16-13-9-5-1-2-6-10(9)15-12(13)11-7-3-4-8-14-11/h1-8,15-16H
• InChIKey: DJKIOLQWYCHODJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-yl)-1H-indol-3-ol
• IUPAC Traditional name: 2-(pyridin-2-yl)-1H-indol-3-ol
• Synonyms: 2-(pyridin-2-yl)-1H-indol-3-ol

Database IDs

• MDL Number: MFCD17167277
• PubChem SID: 180667714
• PubChem CID: 6911888

CALCULATED PROPERTIES

• Acid pKa: 7.525083
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4950802
• LogD (pH = 7.4): 2.2668405
• Log P: 2.503847
• Molar Refractivity: 61.6102 cm^3
• Polarizability: 26.31108 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.311

Product Information

• Purity: 95%