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

• ChemBase ID: 63466
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: n1[nH]c2cccnc2c1C
• Canonical SMILES: Cc1n[nH]c2c1nccc2
• InChI: InChI=1S/C7H7N3/c1-5-7-6(10-9-5)3-2-4-8-7/h2-4H,1H3,(H,9,10)
• InChIKey: JJLBTVYCYWUHCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 194278-45-0
• MDL Number: MFCD08062968
• PubChem SID: 162029205
• PubChem CID: 10630524

CALCULATED PROPERTIES

• Acid pKa: 12.610768
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.59571636
• LogD (pH = 7.4): 0.5958514
• Log P: 0.5958558
• Molar Refractivity: 38.1357 cm^3
• Polarizability: 15.534355 Å^3
• Polar Surface Area: 41.57 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+%