1H-pyrrolo[2,3-b]pyridin-4-ol

• ChemBase ID: 23824
• Molecular Formular: C7H6N2O
• Molecular Mass: 134.13534
• Monoisotopic Mass: 134.04801282
• SMILES: c1cnc2c(c1O)cc[nH]2
• Canonical SMILES: Oc1ccnc2c1cc[nH]2
• InChI: InChI=1S/C7H6N2O/c10-6-2-4-9-7-5(6)1-3-8-7/h1-4H,(H2,8,9,10)
• InChIKey: IXIGMDXJXKDZOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrrolo[2,3-b]pyridin-4-ol
• IUPAC Traditional name: 1H-pyrrolo[2,3-b]pyridin-4-ol
• Synonyms: 1H-Pyrrolo[2,3-b]pyridin-4-ol; 4-Hydroxy-7-azaindole; 1H-Pyrrolo[2,3-b]pyridin-4-ol

Database IDs

• CAS Number: 74420-02-3
• MDL Number: MFCD08272229
• PubChem SID: 160987131
• PubChem CID: 12646048

CALCULATED PROPERTIES

• Acid pKa: 10.841277
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.91794294
• LogD (pH = 7.4): 0.9180738
• Log P: 0.91823214
• Molar Refractivity: 36.9211 cm^3
• Polarizability: 14.579103 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%
• Empirical Formula (Hill Notation): C7H6N2O

DETAILS

Sigma Aldrich - ADE000935

Other Notes
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