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

• ChemBase ID: 288510
• Molecular Formular: C7H5N3O2
• Molecular Mass: 163.1335
• Monoisotopic Mass: 163.03817642
• SMILES: O=C(c1n[nH]c2cccnc12)O
• Canonical SMILES: OC(=O)c1n[nH]c2c1nccc2
• InChI: InChI=1S/C7H5N3O2/c11-7(12)6-5-4(9-10-6)2-1-3-8-5/h1-3H,(H,9,10)(H,11,12)
• InChIKey: FHDXKEYPUYHMOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrazolo[4,3-b]pyridine-3-carboxylic acid
• IUPAC Traditional name: 1H-pyrazolo[4,3-b]pyridine-3-carboxylic acid
• Synonyms: 1H-Pyrazolo[4,3-b]pyridine-3-carboxylic acid

Database IDs

• CAS Number: 1260648-73-4
• MDL Number: MFCD13193615
• PubChem SID: 180674041
• PubChem CID: 57415836

CALCULATED PROPERTIES

• Acid pKa: 3.2082672
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.7621967
• LogD (pH = 7.4): -2.9357228
• Log P: 0.50791883
• Molar Refractivity: 40.4284 cm^3
• Polarizability: 16.120226 Å^3
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%