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

• ChemBase ID: 288631
• Molecular Formular: C7H5BrN2
• Molecular Mass: 197.032
• Monoisotopic Mass: 195.96361017
• SMILES: Brc1nccc2c1cc[nH]2
• Canonical SMILES: Brc1nccc2c1cc[nH]2
• InChI: InChI=1S/C7H5BrN2/c8-7-5-1-3-9-6(5)2-4-10-7/h1-4,9H
• InChIKey: NSMUYOMTEILLCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-1H-pyrrolo[3,2-c]pyridine
• IUPAC Traditional name: 4-bromo-1H-pyrrolo[3,2-c]pyridine
• Synonyms: 4-Bromo-1H-pyrrolo[3,2-c]pyridine

Database IDs

• CAS Number: 1000342-68-6
• MDL Number: MFCD08690131
• PubChem SID: 180674162
• PubChem CID: 24729217

CALCULATED PROPERTIES

• Molar Refractivity: 43.4526 cm^3
• Polarizability: 17.427402 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 13.77583
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7531807
• LogD (pH = 7.4): 1.8275676
• Log P: 1.8286101

PROPERTIES

Product Information

• Purity: 95+%