2-nitropyridin-4-amine

• ChemBase ID: 812831
• Molecular Formular: C5H5N3O2
• Molecular Mass: 139.1121
• Monoisotopic Mass: 139.03817642
• SMILES: n1c(cc(cc1)N)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cc(N)ccn1
• InChI: InChI=1S/C5H5N3O2/c6-4-1-2-7-5(3-4)8(9)10/h1-3H,(H2,6,7)
• InChIKey: ZPFUWAVLEWIOEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-nitropyridin-4-amine
• IUPAC Traditional name: 2-nitropyridin-4-amine
• Synonyms: 4-AMINO-2-NITROPYRIDINE

Database IDs

• CAS Number: 14916-64-4

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.46108836
• LogD (pH = 7.4): 0.46108913
• Log P: 0.46108916
• Molar Refractivity: 35.2355 cm^3
• Polarizability: 12.53207 Å^3
• Polar Surface Area: 82.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%