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

• ChemBase ID: 63442
• Molecular Formular: C6H5N3
• Molecular Mass: 119.124
• Monoisotopic Mass: 119.04834718
• SMILES: c1cc2[nH]ncc2nc1
• Canonical SMILES: c1cnc2c(c1)[nH]nc2
• InChI: InChI=1S/C6H5N3/c1-2-5-6(7-3-1)4-8-9-5/h1-4H,(H,8,9)
• InChIKey: AMFYRKOUWBAGHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrazolo[4,3-b]pyridine
• IUPAC Traditional name: 1H-pyrazolo[4,3-b]pyridine
• Synonyms: 4-Aza-1H-indazole; 1H-Pyrazolo[4,3-b]pyridine

Database IDs

• CAS Number: 272-52-6
• MDL Number: MFCD08234560
• PubChem SID: 162029181
• PubChem CID: 21643653

CALCULATED PROPERTIES

• Acid pKa: 11.855413
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.46447468
• LogD (pH = 7.4): 0.4644706
• Log P: 0.4644856
• Molar Refractivity: 33.5442 cm^3
• Polarizability: 13.770745 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%