6-methoxy-1H-pyrrolo[3,2-c]pyridine

• ChemBase ID: 286979
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: COc1cc2[nH]ccc2cn1
• Canonical SMILES: COc1ncc2c(c1)[nH]cc2
• InChI: InChI=1S/C8H8N2O/c1-11-8-4-7-6(5-10-8)2-3-9-7/h2-5,9H,1H3
• InChIKey: NJYHZMQGTQOAJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-1H-pyrrolo[3,2-c]pyridine
• IUPAC Traditional name: 6-methoxy-1H-pyrrolo[3,2-c]pyridine
• Synonyms: 6-Methoxy-1H-pyrrolo[3,2-c]pyridine

Database IDs

• CAS Number: 80862-08-4
• PubChem SID: 180672510
• PubChem CID: 12863116

CALCULATED PROPERTIES

• Acid pKa: 14.226275
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6047192
• LogD (pH = 7.4): 1.2676054
• Log P: 1.2911216
• Molar Refractivity: 41.7643 cm^3
• Polarizability: 17.176792 Å^3
• Polar Surface Area: 37.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%