1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine hydrochloride

• ChemBase ID: 64895
• Molecular Formular: C6H10ClN3
• Molecular Mass: 159.6167
• Monoisotopic Mass: 159.05632502
• SMILES: C1CNCc2cn[nH]c12.Cl
• Canonical SMILES: C1NCc2c(C1)[nH]nc2.Cl
• InChI: InChI=1S/C6H9N3.ClH/c1-2-7-3-5-4-8-9-6(1)5;/h4,7H,1-3H2,(H,8,9);1H
• InChIKey: LVDGPTTXPPHTCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine hydrochloride
• IUPAC Traditional name: 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine hydrochloride
• Synonyms: 4,5,6,7-Tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride

Database IDs

• CAS Number: 1187830-85-8
• MDL Number: MFCD07368445
• PubChem SID: 162030634
• PubChem CID: 46916246

CALCULATED PROPERTIES

• Acid pKa: 14.138152
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3437858
• LogD (pH = 7.4): -1.7332449
• Log P: -0.4330332
• Molar Refractivity: 36.2909 cm^3
• Polarizability: 13.373606 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+%