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

• ChemBase ID: 294794
• Molecular Formular: C7H13Cl2N3
• Molecular Mass: 210.10422
• Monoisotopic Mass: 209.04865279
• SMILES: Cn1ncc2c1CNCC2.Cl.Cl
• Canonical SMILES: Cn1ncc2c1CNCC2.Cl.Cl
• InChI: InChI=1S/C7H11N3.2ClH/c1-10-7-5-8-3-2-6(7)4-9-10;;/h4,8H,2-3,5H2,1H3;2*1H
• InChIKey: HJIOKUDPUDYTLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine dihydrochloride
• IUPAC Traditional name: 1-methyl-4H,5H,6H,7H-pyrazolo[3,4-c]pyridine dihydrochloride
• Synonyms: 1-Methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine dihydrochloride

Database IDs

• CAS Number: 1228878-69-0
• MDL Number: MFCD09028172
• PubChem SID: 180680325
• PubChem CID: 70701198

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7598805
• LogD (pH = 7.4): -1.0453588
• Log P: -0.080655664
• Molar Refractivity: 51.3965 cm^3
• Polarizability: 15.135336 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%