6-chloro-5-nitropyridin-2-amine

• ChemBase ID: 289921
• Molecular Formular: C5H4ClN3O2
• Molecular Mass: 173.55716
• Monoisotopic Mass: 172.99920406
• SMILES: Nc1nc(Cl)c([N+](=O)[O-])cc1
• Canonical SMILES: [O-][N+](=O)c1ccc(nc1Cl)N
• InChI: InChI=1S/C5H4ClN3O2/c6-5-3(9(10)11)1-2-4(7)8-5/h1-2H,(H2,7,8)
• InChIKey: XVJLWPXRQLPUPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-5-nitropyridin-2-amine
• IUPAC Traditional name: 6-chloro-5-nitropyridin-2-amine
• Synonyms: 6-Chloro-5-nitropyridin-2-amine

Database IDs

• CAS Number: 84487-03-6
• PubChem SID: 180675452
• PubChem CID: 3069277

CALCULATED PROPERTIES

• Acid pKa: 19.870518
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.285311
• LogD (pH = 7.4): 1.285311
• Log P: 1.285311
• Molar Refractivity: 41.1016 cm^3
• Polarizability: 14.588213 Å^3
• Polar Surface Area: 82.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%