7-methoxy-1H-pyrrolo[3,2-b]pyridine

• ChemBase ID: 288595
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: COc1ccnc2c1[nH]cc2
• Canonical SMILES: COc1ccnc2c1[nH]cc2
• InChI: InChI=1S/C8H8N2O/c1-11-7-3-5-9-6-2-4-10-8(6)7/h2-5,10H,1H3
• InChIKey: QIJRLASLGKGDEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-1H-pyrrolo[3,2-b]pyridine
• IUPAC Traditional name: 7-methoxy-1H-pyrrolo[3,2-b]pyridine
• Synonyms: 7-Methoxy-1H-pyrrolo[3,2-b]pyridine

Database IDs

• CAS Number: 425380-39-8
• PubChem SID: 180674126
• PubChem CID: 45079605

CALCULATED PROPERTIES

• Acid pKa: 13.752463
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.49358556
• LogD (pH = 7.4): 1.0646627
• Log P: 1.0825144
• Molar Refractivity: 41.0788 cm^3
• Polarizability: 17.1822 Å^3
• Polar Surface Area: 37.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%