6-nitropyridin-2-amine

• ChemBase ID: 67964
• Molecular Formular: C5H5N3O2
• Molecular Mass: 139.1121
• Monoisotopic Mass: 139.03817642
• SMILES: c1(cccc(n1)[N+](=O)[O-])N
• Canonical SMILES: Nc1cccc(n1)[N+](=O)[O-]
• InChI: InChI=1S/C5H5N3O2/c6-4-2-1-3-5(7-4)8(9)10/h1-3H,(H2,6,7)
• InChIKey: JMAGBGSWLILKOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-nitropyridin-2-amine
• IUPAC Traditional name: 6-nitropyridin-2-amine
• Synonyms: 6-Nitropyridin-2-amine; 6-Nitropyridin-2-amine; 2-Amino-6-nitropyridine

Database IDs

• CAS Number: 14916-63-3
• MDL Number: MFCD04114202
• PubChem SID: 162033697
• PubChem CID: 2762881

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0555466
• LogD (pH = 7.4): 1.0555466
• Log P: 1.0555466
• Molar Refractivity: 35.549 cm^3
• Polarizability: 12.535874 Å^3
• Polar Surface Area: 82.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160-164°C

Safety Information

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

Product Information

• Purity: 95+%; 98%