3-methyl-1H-pyrazolo[3,4-c]pyridine

• ChemBase ID: 289114
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: Cc1n[nH]c2c1ccnc2
• Canonical SMILES: Cc1n[nH]c2c1ccnc2
• InChI: InChI=1S/C7H7N3/c1-5-6-2-3-8-4-7(6)10-9-5/h2-4H,1H3,(H,9,10)
• InChIKey: NUOYUBYDFVQGGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1H-pyrazolo[3,4-c]pyridine
• IUPAC Traditional name: 3-methyl-1H-pyrazolo[3,4-c]pyridine
• Synonyms: 3-Methyl-1H-pyrazolo[3,4-c]pyridine

Database IDs

• CAS Number: 1072249-89-8
• MDL Number: MFCD13191779
• PubChem SID: 180674645
• PubChem CID: 25132241

CALCULATED PROPERTIES

• Acid pKa: 12.815302
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.20973837
• LogD (pH = 7.4): 0.21000044
• Log P: 0.21000543
• Molar Refractivity: 38.5077 cm^3
• Polarizability: 15.52978 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%