1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde

• ChemBase ID: 291946
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: O=Cc1cc2c([nH]cc2)cn1
• Canonical SMILES: O=Cc1cc2cc[nH]c2cn1
• InChI: InChI=1S/C8H6N2O/c11-5-7-3-6-1-2-9-8(6)4-10-7/h1-5,9H
• InChIKey: SHTJIHCOCNIHLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde
• IUPAC Traditional name: 1H-pyrrolo[2,3-c]pyridine-5-carbaldehyde
• Synonyms: 1H-Pyrrolo[2,3-c]pyridine-5-carbaldehyde

Database IDs

• CAS Number: 130473-26-6
• MDL Number: MFCD10697530
• PubChem SID: 180677477
• PubChem CID: 14644283

CALCULATED PROPERTIES

• Acid pKa: 13.829936
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2332938
• LogD (pH = 7.4): 1.2412778
• Log P: 1.2413808
• Molar Refractivity: 41.1864 cm^3
• Polarizability: 16.556822 Å^3
• Polar Surface Area: 45.75 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%