7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-ol

• ChemBase ID: 170217
• Molecular Formular: C8H8N2O2
• Molecular Mass: 164.16132
• Monoisotopic Mass: 164.05857751
• SMILES: n1cc(c2c(c1OC)[nH]cc2)O
• Canonical SMILES: COc1ncc(c2c1[nH]cc2)O
• InChI: InChI=1S/C8H8N2O2/c1-12-8-7-5(2-3-9-7)6(11)4-10-8/h2-4,9,11H,1H3
• InChIKey: LKUWKIKHLJCCNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-ol
• IUPAC Traditional name: 7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-ol
• Synonyms: 7-Methoxy-1H-pyrrolo[2,3-c]pyridin-4-ol; 4-Hydroxy-7-methoxy-6-azaindole

Database IDs

• CAS Number: 936470-68-7
• PubChem SID: 164226127
• PubChem CID: 29981172

CALCULATED PROPERTIES

• Acid pKa: 9.32437
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.98222226
• LogD (pH = 7.4): 0.9824357
• Log P: 0.98755634
• Molar Refractivity: 43.7452 cm^3
• Polarizability: 17.777552 Å^3
• Polar Surface Area: 58.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true