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

• ChemBase ID: 64351
• Molecular Formular: C7H6N2
• Molecular Mass: 118.13594
• Monoisotopic Mass: 118.0530982
• SMILES: [nH]1ccc2c1cncc2
• Canonical SMILES: c1ncc2c(c1)cc[nH]2
• InChI: InChI=1S/C7H6N2/c1-3-8-5-7-6(1)2-4-9-7/h1-5,9H
• InChIKey: XLKDJOPOOHHZAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 271-29-4
• MDL Number: MFCD01686899
• PubChem SID: 162030090
• PubChem CID: 9219

CALCULATED PROPERTIES

• Acid pKa: 14.632728
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5487764
• LogD (pH = 7.4): 0.84806406
• Log P: 0.85433537
• Molar Refractivity: 34.9876 cm^3
• Polarizability: 14.707302 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.175

Safety Information

• Storage Warning: IRRITANT; Irritant/Air Sensitive/Light Sensitive/Store under Argon/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 95%; 96%