1H-pyrrolo[2,3-c]pyridin-7-ylmethanol

• ChemBase ID: 71079
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: c12[nH]ccc2ccnc1CO
• Canonical SMILES: OCc1nccc2c1[nH]cc2
• InChI: InChI=1S/C8H8N2O/c11-5-7-8-6(1-3-9-7)2-4-10-8/h1-4,10-11H,5H2
• InChIKey: FWQCYGBJDIVQIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrrolo[2,3-c]pyridin-7-ylmethanol
• IUPAC Traditional name: 1H-pyrrolo[2,3-c]pyridin-7-ylmethanol
• Synonyms: 1H-Pyrrolo[2,3-c]pyridin-7-ylmethanol

Database IDs

• MDL Number: MFCD22373669
• PubChem SID: 162036785
• PubChem CID: 66545145

CALCULATED PROPERTIES

• Acid pKa: 14.042492
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.023063403
• LogD (pH = 7.4): 0.16537595
• Log P: 0.16845751
• Molar Refractivity: 41.2813 cm^3
• Polarizability: 17.114996 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180 °C; 180°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >97%