2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid hydrochloride

• ChemBase ID: 55409
• Molecular Formular: C7H10ClN3O2
• Molecular Mass: 203.6262
• Monoisotopic Mass: 203.04615426
• SMILES: C1CNCc2c1[nH]nc2C(=O)O.Cl
• Canonical SMILES: OC(=O)c1n[nH]c2c1CNCC2.Cl
• InChI: InChI=1S/C7H9N3O2.ClH/c11-7(12)6-4-3-8-2-1-5(4)9-10-6;/h8H,1-3H2,(H,9,10)(H,11,12);1H
• InChIKey: IHVOBNKRCWELIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid hydrochloride; 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid hydrochloride
• IUPAC Traditional name: 2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid hydrochloride; 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid hydrochloride
• Synonyms: 4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carboxylic acid hydrochloride; 4,5,6,7-Tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid hydrochloride

Database IDs

• CAS Number: 933689-86-2
• MDL Number: MFCD16039355
• PubChem SID: 162060172
• PubChem CID: 50998524

CALCULATED PROPERTIES

• Acid pKa: 2.960201
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.9901102
• LogD (pH = 7.4): -3.0327394
• Log P: -2.99014
• Molar Refractivity: 42.8589 cm^3
• Polarizability: 15.791432 Å^3
• Polar Surface Area: 78.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false