2-(pyridin-4-yl)-1H-indol-3-ol

• ChemBase ID: 282185
• Molecular Formular: C13H10N2O
• Molecular Mass: 210.2313
• Monoisotopic Mass: 210.07931295
• SMILES: c1([nH]c2c(c1O)cccc2)c1ccncc1
• Canonical SMILES: Oc1c([nH]c2c1cccc2)c1ccncc1
• InChI: InChI=1S/C13H10N2O/c16-13-10-3-1-2-4-11(10)15-12(13)9-5-7-14-8-6-9/h1-8,15-16H
• InChIKey: NTAKRIIQRZZJMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-4-yl)-1H-indol-3-ol
• IUPAC Traditional name: 2-(pyridin-4-yl)-1H-indol-3-ol
• Synonyms: 2-(pyridin-4-yl)-1H-indol-3-ol

Database IDs

• MDL Number: MFCD17167279
• PubChem SID: 180667716
• PubChem CID: 50990632

CALCULATED PROPERTIES

• Acid pKa: 8.667084
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0215366
• LogD (pH = 7.4): 2.0941389
• Log P: 2.1179965
• Molar Refractivity: 61.9822 cm^3
• Polarizability: 26.30289 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.101

Product Information

• Purity: 95%