2-hydrazinylpyridine-4-carboxylic acid

• ChemBase ID: 90877
• Molecular Formular: C6H7N3O2
• Molecular Mass: 153.13868
• Monoisotopic Mass: 153.05382648
• SMILES: n1c(cc(cc1)C(=O)O)NN
• Canonical SMILES: NNc1nccc(c1)C(=O)O
• InChI: InChI=1S/C6H7N3O2/c7-9-5-3-4(6(10)11)1-2-8-5/h1-3H,7H2,(H,8,9)(H,10,11)
• InChIKey: PWRFHRBNLUGPHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinylpyridine-4-carboxylic acid
• IUPAC Traditional name: 2-hydrazinylpyridine-4-carboxylic acid
• Synonyms: 2-Hydrazinopyridine-4-carboxylic acid; 2-Hydrazinoisonicotinic acid 97%

Database IDs

• CAS Number: 887589-25-5
• MDL Number: MFCD07786611
• PubChem SID: 162077586
• PubChem CID: 26967246

CALCULATED PROPERTIES

• Acid pKa: 3.7112246
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.2052757
• LogD (pH = 7.4): -2.1702652
• Log P: -1.1690991
• Molar Refractivity: 41.1775 cm^3
• Polarizability: 14.390813 Å^3
• Polar Surface Area: 88.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 232°C

Safety Information

• Storage Warning: Harmful/Irritant