2-hydrazinylpyridine-3-carboxylic acid hydrochloride

• ChemBase ID: 12955
• Molecular Formular: C6H8ClN3O2
• Molecular Mass: 189.59962
• Monoisotopic Mass: 189.03050419
• SMILES: c1cnc(c(c1)C(=O)O)NN.Cl
• Canonical SMILES: NNc1ncccc1C(=O)O.Cl
• InChI: InChI=1S/C6H7N3O2.ClH/c7-9-5-4(6(10)11)2-1-3-8-5;/h1-3H,7H2,(H,8,9)(H,10,11);1H
• InChIKey: DRHWFYLEQVYZLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinylpyridine-3-carboxylic acid hydrochloride
• IUPAC Traditional name: 2-hydrazinylpyridine-3-carboxylic acid hydrochloride
• Synonyms: 2-Hydrazino-nicotinic acid hydrochloride

Database IDs

• CAS Number: 435342-14-6
• MDL Number: MFCD06800796
• PubChem SID: 160976262
• PubChem CID: 45074822

CALCULATED PROPERTIES

• Acid pKa: 2.0309603
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.67057484
• LogD (pH = 7.4): -0.7033943
• Log P: -0.6711705
• Molar Refractivity: 41.1775 cm^3
• Polarizability: 14.391857 Å^3
• Polar Surface Area: 88.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false