7-bromo-1H-pyrazolo[4,3-b]pyridine

• ChemBase ID: 288559
• Molecular Formular: C6H4BrN3
• Molecular Mass: 198.02006
• Monoisotopic Mass: 196.95885914
• SMILES: Brc1ccnc2c1[nH]nc2
• Canonical SMILES: Brc1ccnc2c1[nH]nc2
• InChI: InChI=1S/C6H4BrN3/c7-4-1-2-8-5-3-9-10-6(4)5/h1-3H,(H,9,10)
• InChIKey: UYPCJEWLLVESSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-1H-pyrazolo[4,3-b]pyridine
• IUPAC Traditional name: 7-bromo-1H-pyrazolo[4,3-b]pyridine
• Synonyms: 7-Bromo-1H-pyrazolo[4,3-b]pyridine

Database IDs

• CAS Number: 1256806-33-3
• MDL Number: MFCD16659577
• PubChem SID: 180674090
• PubChem CID: 67470457

CALCULATED PROPERTIES

• Acid pKa: 9.1243725
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2331328
• LogD (pH = 7.4): 1.2253222
• Log P: 1.2332382
• Molar Refractivity: 41.167 cm^3
• Polarizability: 16.557789 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%