6-hydrazinylpyridine-3-carboxylic acid hydrochloride

• ChemBase ID: 245005
• Molecular Formular: C6H8ClN3O2
• Molecular Mass: 189.59962
• Monoisotopic Mass: 189.03050419
• SMILES: c1(C(=O)O)cnc(NN)cc1.Cl
• Canonical SMILES: NNc1ccc(cn1)C(=O)O.Cl
• InChI: InChI=1S/C6H7N3O2.ClH/c7-9-5-2-1-4(3-8-5)6(10)11;/h1-3H,7H2,(H,8,9)(H,10,11);1H
• InChIKey: ITPDZLBALZCKIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydrazinylpyridine-3-carboxylic acid hydrochloride
• IUPAC Traditional name: 6-hydrazinylpyridine-3-carboxylic acid hydrochloride
• Synonyms: 6-hydrazinylpyridine-3-carboxylic acid hydrochloride

Database IDs

• MDL Number: MFCD22570226
• PubChem SID: 164300915
• PubChem CID: 69566214

CALCULATED PROPERTIES

• Acid pKa: 1.7963375
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.3214284
• LogD (pH = 7.4): -1.3724318
• Log P: -1.3224092
• Molar Refractivity: 41.1775 cm^3
• Polarizability: 14.389999 Å^3
• Polar Surface Area: 88.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 254 - 256°C
• Hydrophobicity(logP): 0.948

Product Information

• Purity: 95%