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

• ChemBase ID: 289192
• Molecular Formular: C7H5BrN2
• Molecular Mass: 197.032
• Monoisotopic Mass: 195.96361017
• SMILES: Brc1cc2c(cc[nH]2)cn1
• Canonical SMILES: Brc1ncc2c(c1)[nH]cc2
• InChI: InChI=1S/C7H5BrN2/c8-7-3-6-5(4-10-7)1-2-9-6/h1-4,9H
• InChIKey: IRXFHLHFJHIJTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-1H-pyrrolo[3,2-c]pyridine
• IUPAC Traditional name: 6-bromo-1H-pyrrolo[3,2-c]pyridine
• Synonyms: 6-Bromo-1H-pyrrolo[3,2-c]pyridine

Database IDs

• CAS Number: 1000342-71-1
• MDL Number: MFCD08690134
• PubChem SID: 180674723
• PubChem CID: 24729218

CALCULATED PROPERTIES

• Acid pKa: 14.404934
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7594746
• LogD (pH = 7.4): 1.8276621
• Log P: 1.8286101
• Molar Refractivity: 43.4526 cm^3
• Polarizability: 17.422972 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%