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

• ChemBase ID: 288395
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: O=Cc1c[nH]c2c1ccnc2
• Canonical SMILES: O=Cc1c[nH]c2c1ccnc2
• InChI: InChI=1S/C8H6N2O/c11-5-6-3-10-8-4-9-2-1-7(6)8/h1-5,10H
• InChIKey: IAMJYHYPXUQXGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 25957-65-7
• MDL Number: MFCD08272238
• PubChem SID: 180673926
• PubChem CID: 26337988

CALCULATED PROPERTIES

• Acid pKa: 11.825435
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.47637212
• LogD (pH = 7.4): 0.56552345
• Log P: 0.5668377
• Molar Refractivity: 41.5716 cm^3
• Polarizability: 16.555319 Å^3
• Polar Surface Area: 45.75 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%