2-phenyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine dihydrochloride

• ChemBase ID: 256236
• Molecular Formular: C12H15Cl2N3
• Molecular Mass: 272.1736
• Monoisotopic Mass: 271.06430286
• SMILES: n1(nc2c(c1)CNCC2)c1ccccc1.Cl.Cl
• Canonical SMILES: c1ccc(cc1)n1cc2c(n1)CCNC2.Cl.Cl
• InChI: InChI=1S/C12H13N3.2ClH/c1-2-4-11(5-3-1)15-9-10-8-13-7-6-12(10)14-15;;/h1-5,9,13H,6-8H2;2*1H
• InChIKey: AHZXXACGWKIJHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine dihydrochloride
• IUPAC Traditional name: 2-phenyl-4H,5H,6H,7H-pyrazolo[4,3-c]pyridine dihydrochloride
• Synonyms: 2-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine dihydrochloride

Database IDs

• MDL Number: MFCD10686815
• PubChem SID: 164312146
• PubChem CID: 43810625

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.179571
• LogD (pH = 7.4): 0.4610535
• Log P: 1.6871251
• Molar Refractivity: 60.3995 cm^3
• Polarizability: 23.67475 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 271 - 273°C
• Hydrophobicity(logP): 1.419

Product Information

• Purity: 95%