5-chloro-2-hydrazinylpyridine-4-carboxylic acid hydrochloride

• ChemBase ID: 51467
• Molecular Formular: C6H7Cl2N3O2
• Molecular Mass: 224.04468
• Monoisotopic Mass: 222.99153184
• SMILES: c1(C(=O)O)c(cnc(c1)NN)Cl.Cl
• Canonical SMILES: NNc1ncc(c(c1)C(=O)O)Cl.Cl
• InChI: InChI=1S/C6H6ClN3O2.ClH/c7-4-2-9-5(10-8)1-3(4)6(11)12;/h1-2H,8H2,(H,9,10)(H,11,12);1H
• InChIKey: NBIGRXVXPRLFAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-hydrazinylpyridine-4-carboxylic acid hydrochloride
• IUPAC Traditional name: 5-chloro-2-hydrazinylpyridine-4-carboxylic acid hydrochloride
• Synonyms: (4-Carboxy-5-chloropyridin-2-yl)hydrazine hydrochloride; 4-Carboxy-5-chloro-2-hydrazinopyridine hydrochloride; 5-Chloro-2-hydrazinopyridine-4-carboxylic acid hydrochloride; 5-Chloro-2-hydrazinylpyridine-4-carboxylic acid hydrochloride

Database IDs

• MDL Number: MFCD16622784
• PubChem SID: 162056230
• PubChem CID: 51072006

CALCULATED PROPERTIES

• Acid pKa: 3.543153
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.32789564
• LogD (pH = 7.4): -2.0020323
• Log P: 0.2977541
• Molar Refractivity: 45.9823 cm^3
• Polarizability: 16.373997 Å^3
• Polar Surface Area: 88.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 176 - 178 °C; 176-178°C

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%