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

• ChemBase ID: 87531
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: n1ccc2c(c1OC)[nH]cc2
• Canonical SMILES: COc1nccc2c1[nH]cc2
• InChI: InChI=1S/C8H8N2O/c1-11-8-7-6(2-4-9-7)3-5-10-8/h2-5,9H,1H3
• InChIKey: RHEGHTSBMVYYAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 160590-40-9
• MDL Number: MFCD09864857
• PubChem SID: 162074571
• PubChem CID: 11029988

CALCULATED PROPERTIES

• Acid pKa: 13.8678055
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2852018
• LogD (pH = 7.4): 1.2910464
• Log P: 1.2911216
• Molar Refractivity: 41.7643 cm^3
• Polarizability: 17.184345 Å^3
• Polar Surface Area: 37.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110-114°C

Safety Information

• Storage Warning: Harmful/Irritant