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

• ChemBase ID: 282295
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n1c2c(c[nH]1)CCNC2
• Canonical SMILES: C1NCc2c(C1)c[nH]n2
• InChI: InChI=1S/C6H9N3/c1-2-7-4-6-5(1)3-8-9-6/h3,7H,1-2,4H2,(H,8,9)
• InChIKey: KFOAQYYCEAGMEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11865066
• PubChem SID: 180667826
• PubChem CID: 21952856

CALCULATED PROPERTIES

• Acid pKa: 15.351769
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4416864
• LogD (pH = 7.4): -0.7110198
• Log P: -0.042860966
• Molar Refractivity: 35.7808 cm^3
• Polarizability: 13.375598 Å^3
• Polar Surface Area: 40.71 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134 - 136°C
• Hydrophobicity(logP): -0.536

Product Information

• Purity: 95%