6-hydrazinylpyridine-3-carboxylic acid

• ChemBase ID: 60398
• Molecular Formular: C6H7N3O2
• Molecular Mass: 153.13868
• Monoisotopic Mass: 153.05382648
• SMILES: c1(C(=O)O)cnc(NN)cc1
• Canonical SMILES: NNc1ccc(cn1)C(=O)O
• InChI: InChI=1S/C6H7N3O2/c7-9-5-2-1-4(3-8-5)6(10)11/h1-3H,7H2,(H,8,9)(H,10,11)
• InChIKey: HBBSDZXXUIHKJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydrazinylpyridine-3-carboxylic acid
• IUPAC Traditional name: 6-hydrazinylpyridine-3-carboxylic acid
• Synonyms: 6-hydrazinylidene-1,6-dihydropyridine-3-carboxylic acid; 6-Hydrazinylnicotinic acid; 6-Hydrazinonicotinic acid

Database IDs

• CAS Number: 133081-24-0
• MDL Number: MFCD03788692
• PubChem SID: 162026139
• PubChem CID: 3782617

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: 275 - 277°C
• Hydrophobicity(logP): -1.4

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%