2H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridine hydrochloride

• ChemBase ID: 64947
• Molecular Formular: C6H10ClN3
• Molecular Mass: 159.6167
• Monoisotopic Mass: 159.05632502
• SMILES: C1CCc2n[nH]cc2N1.Cl
• Canonical SMILES: C1CNc2c(C1)n[nH]c2.Cl
• InChI: InChI=1S/C6H9N3.ClH/c1-2-5-6(7-3-1)4-8-9-5;/h4,7H,1-3H2,(H,8,9);1H
• InChIKey: PVKOWBFBILDXPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridine hydrochloride
• IUPAC Traditional name: 2H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridine hydrochloride
• Synonyms: 4,5,6,7-Tetrahydro-2H-pyrazolo[4,3-b]pyridine hydrochloride

Database IDs

• CAS Number: 1187830-47-2
• MDL Number: MFCD11846201
• PubChem SID: 162030686
• PubChem CID: 55283146

CALCULATED PROPERTIES

• Acid pKa: 18.345978
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.10814827
• LogD (pH = 7.4): 0.10857562
• Log P: 0.108581066
• Molar Refractivity: 37.426 cm^3
• Polarizability: 12.993236 Å^3
• Polar Surface Area: 40.71 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%