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

• ChemBase ID: 68390
• Molecular Formular: C7H5N3O2
• Molecular Mass: 163.1335
• Monoisotopic Mass: 163.03817642
• SMILES: c1c2c(ccn1)[nH]nc2C(=O)O
• Canonical SMILES: OC(=O)c1n[nH]c2c1cncc2
• InChI: InChI=1S/C7H5N3O2/c11-7(12)6-4-3-8-2-1-5(4)9-10-6/h1-3H,(H,9,10)(H,11,12)
• InChIKey: JEFULTKTESMWLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 932702-11-9
• MDL Number: MFCD11042720
• PubChem SID: 162034121
• PubChem CID: 46912079

CALCULATED PROPERTIES

• Acid pKa: 2.4891074
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1044116
• LogD (pH = 7.4): -1.6144987
• Log P: -1.0950986
• Molar Refractivity: 40.8004 cm^3
• Polarizability: 16.111303 Å^3
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%