1H-pyrrolo[3,2-b]pyridin-6-ol

• ChemBase ID: 23848
• Molecular Formular: C7H6N2O
• Molecular Mass: 134.13534
• Monoisotopic Mass: 134.04801282
• SMILES: c1(cnc2c(c1)[nH]cc2)O
• Canonical SMILES: Oc1cnc2c(c1)[nH]cc2
• InChI: InChI=1S/C7H6N2O/c10-5-3-7-6(9-4-5)1-2-8-7/h1-4,8,10H
• InChIKey: YPBPBVINIWDVDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrrolo[3,2-b]pyridin-6-ol
• IUPAC Traditional name: 1H-pyrrolo[3,2-b]pyridin-6-ol
• Synonyms: 1H-Pyrrolo[3,2-b]pyridin-6-ol; 1H-Pyrrolo[3,2-b]pyridin-6-ol

Database IDs

• CAS Number: 1015609-35-4
• MDL Number: MFCD09859113
• PubChem SID: 160987155
• PubChem CID: 24229264

CALCULATED PROPERTIES

• Acid pKa: 9.535731
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.866602
• LogD (pH = 7.4): 0.9324991
• Log P: 0.9366204
• Molar Refractivity: 36.5965 cm^3
• Polarizability: 15.261027 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

• Empirical Formula (Hill Notation): C7H6N2O

DETAILS

Sigma Aldrich - ADE000960

Other Notes
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