1H-pyrrolo[3,2-b]pyridin-5-ol

• ChemBase ID: 287687
• Molecular Formular: C7H6N2O
• Molecular Mass: 134.13534
• Monoisotopic Mass: 134.04801282
• SMILES: Oc1nc2c([nH]cc2)cc1
• Canonical SMILES: Oc1ccc2c(n1)cc[nH]2
• InChI: InChI=1S/C7H6N2O/c10-7-2-1-5-6(9-7)3-4-8-5/h1-4,8H,(H,9,10)
• InChIKey: FSHSBDMOHYYHRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrrolo[3,2-b]pyridin-5-ol
• IUPAC Traditional name: 1H-pyrrolo[3,2-b]pyridin-5-ol
• Synonyms: 1H-Pyrrolo[3,2-b]pyridin-5-ol

Database IDs

• CAS Number: 17322-91-7
• MDL Number: MFCD11215548
• PubChem SID: 180673218
• PubChem CID: 14657261

CALCULATED PROPERTIES

• Acid pKa: 13.038514
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5309341
• LogD (pH = 7.4): 1.5310751
• Log P: 1.5310779
• Molar Refractivity: 36.91 cm^3
• Polarizability: 15.262625 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%