6-nitropyridin-3-amine

• ChemBase ID: 66663
• Molecular Formular: C5H5N3O2
• Molecular Mass: 139.1121
• Monoisotopic Mass: 139.03817642
• SMILES: c1(ccc(cn1)N)[N+](=O)[O-]
• Canonical SMILES: Nc1ccc(nc1)[N+](=O)[O-]
• InChI: InChI=1S/C5H5N3O2/c6-4-1-2-5(7-3-4)8(9)10/h1-3H,6H2
• InChIKey: PLQFCJIRQJGPHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-nitropyridin-3-amine
• IUPAC Traditional name: 6-nitropyridin-3-amine
• Synonyms: 6-Nitropyridin-3-amine; 5-Amino-2-nitropyridine; 6-Nitropyridin-3-amine; 5-Amino-2-nitropyridine 95%

Database IDs

• CAS Number: 14916-65-5
• MDL Number: MFCD01646117
• PubChem SID: 162032400
• PubChem CID: 15567577

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.46108916
• LogD (pH = 7.4): 0.46108916
• Log P: 0.46108916
• Molar Refractivity: 35.2355 cm^3
• Polarizability: 12.535462 Å^3
• Polar Surface Area: 82.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 95+%; 97%