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

• ChemBase ID: 289542
• Molecular Formular: C7H5BrN2
• Molecular Mass: 197.032
• Monoisotopic Mass: 195.96361017
• SMILES: Brc1cc2c([nH]cc2)cn1
• Canonical SMILES: Brc1ncc2c(c1)cc[nH]2
• InChI: InChI=1S/C7H5BrN2/c8-7-3-5-1-2-9-6(5)4-10-7/h1-4,9H
• InChIKey: HIYAJEAFUVCOFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1215387-58-8
• PubChem SID: 180675073
• PubChem CID: 53443442

CALCULATED PROPERTIES

• Acid pKa: 14.303696
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.828477
• LogD (pH = 7.4): 1.8286083
• Log P: 1.8286101
• Molar Refractivity: 43.4526 cm^3
• Polarizability: 17.42619 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%