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

• ChemBase ID: 67695
• Molecular Formular: C7H5BrN2
• Molecular Mass: 197.032
• Monoisotopic Mass: 195.96361017
• SMILES: c1c2c(c(cn1)Br)[nH]cc2
• Canonical SMILES: Brc1cncc2c1[nH]cc2
• InChI: InChI=1S/C7H5BrN2/c8-6-4-9-3-5-1-2-10-7(5)6/h1-4,10H
• InChIKey: MVUCSWVQBDCPCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-1H-pyrrolo[3,2-c]pyridine
• IUPAC Traditional name: 7-bromo-1H-pyrrolo[3,2-c]pyridine
• Synonyms: 7-Bromo-1H-pyrrolo[3,2-c]pyridine

Database IDs

• CAS Number: 902837-42-7
• MDL Number: MFCD07781153
• PubChem SID: 162033430
• PubChem CID: 44721299

CALCULATED PROPERTIES

• Acid pKa: 13.896414
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.8142808
• LogD (pH = 7.4): 1.5512047
• Log P: 1.623088
• Molar Refractivity: 42.6104 cm^3
• Polarizability: 17.379656 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%