5-nitropyridin-2-amine

• ChemBase ID: 68144
• Molecular Formular: C5H5N3O2
• Molecular Mass: 139.1121
• Monoisotopic Mass: 139.03817642
• SMILES: c1(ccc(cn1)[N+](=O)[O-])N
• Canonical SMILES: Nc1ccc(cn1)[N+](=O)[O-]
• InChI: InChI=1S/C5H5N3O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H,(H2,6,7)
• InChIKey: UGSBCCAHDVCHGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-nitropyridin-2-amine
• IUPAC Traditional name: 2-pyridinamine, 5-nitro-
• Synonyms: 2-Amino-5-nitropyridine; 2-Amino-5-nitropyridine; 5-nitropyridin-2-amine; 5-Nitropyridin-2-amine; 2-氨基-5-硝基吡啶

Database IDs

• CAS Number: 67476-67-9; 4214-76-0
• EC Number: 224-145-6
• MDL Number: MFCD00006325
• Beilstein Number: 120353
• PubChem SID: 24891171; 162033876; 24846236
• PubChem CID: 77888

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.46102595
• LogD (pH = 7.4): 0.46108836
• Log P: 0.46108916
• Molar Refractivity: 35.2355 cm^3
• Polarizability: 12.52684 Å^3
• Polar Surface Area: 82.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 19.59554

PROPERTIES

Physical Property

• Melting Point: 185-190°C; 186-188 °C(lit.); 186-188°C
• Flash Point: 224°C(435°F)

Safety Information

• Storage Warning: IRRITANT; Irritant; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-37; 26-37/39; S:20-25-26-37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95.0% (NT); 95+%; 97%; 98%
• Grade: technical
• Empirical Formula (Hill Notation): C5H5N3O2

DETAILS

MP Biomedicals - 05203582

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A70801

Packaging
5 g in glass bottle