6-Amino-5-nitropyridin-2-one - ≥95% , CAS No.211555-30-5

CAS: 211555-30-5 Cat. No.: A648045 Peso molecular: 155.11 PubChem CID: 11182729

GRADE & PURITY ≥95%

Synonyms

AMY26977 | SB52496 | HY-50071 | EN300-2969005 | 6-amino-5-nitro-2(1h)-pyridone | X4VR2ETN9S | 6-AMINO-5-NITROPYRIDIN-2-OL | SCHEMBL1034230 | 2(1H)-Pyridinone, 6-amino-5-nitro- | AKOS006284381 | AKOS040744153 | 6-Amino-5-nitropyridin-2-one | DTXSID70457865

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

6-Amino-5-nitropyridin-2-one is a pyridine base and used as a nucleobase of hachimoji DNA, in which it pairs with 5-aza-7-deazaguanine.

Form:Solid

Specifications

Sinónimos

AMY26977 | SB52496 | HY-50071 | EN300-2969005 | 6-amino-5-nitro-2(1h)-pyridone | X4VR2ETN9S | 6-AMINO-5-NITROPYRIDIN-2-OL | SCHEMBL1034230 | 2(1H)-Pyridinone, 6-amino-5-nitro- | AKOS006284381 | AKOS040744153 | 6-Amino-5-nitropyridin-2-one | DTXSID70457865

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

6-Amino-5-nitropyridin-2-one is a pyridine base and used as a nucleobase of hachimoji DNA, in which it pairs with 5-aza-7-deazaguanine.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=O)NC(=C1[N+](=O)[O-])N
• IUPAC Name: 6-amino-5-nitro-1H-pyridin-2-one
• InChIKey: JFGLOZOVAGYLKU-UHFFFAOYSA-N
• INCHI: 1S/C5H5N3O3/c6-5-3(8(10)11)1-2-4(9)7-5/h1-2H,(H3,6,7,9)
• Isómeros SMILES: C1=CC(=O)NC(=C1[N+](=O)[O-])N
• CAS alternativo: 211555-30-5
• PubChem CID: 11182729
• Peso molecular: 155.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Clase Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Clase: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Pyridinones Dihydropyridines Aminopyridines and derivatives Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Primary amines Organooxygen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Aminopyridine - Dihydropyridine - Pyridinone - Hydropyridine - Pyridine - Heteroaromatic compound - Lactam - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic salt - Organic zwitterion - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: H2O : 2 mg/mL (12.89 mM; Need ultrasonic)
• Peso molecular: 155.110 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 155.033 Da
• Monoisotopic Mass: 155.033 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 273.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1