2-Hydroxy-5-iodo-3-nitropyridine - ≥97% , CAS No.25391-59-7

CAS: 25391-59-7 Cat. No.: H469003 Summenformel: C₅H₃IN₂O₃ Molekulargewicht: 265.99 EG-Nummer: 693-378-7

GRADE & PURITY ≥97%

Synonyms

5-Iodo-3-nitro-pyridin-2-ol | 5-Iodo-3-nitropyridin-2-ol | FT-0678604 | MFCD09743049 | I10209 | 2-Hydroxy-5-iodo-3-nitropyridine | JCNPQYWDKONAFU-UHFFFAOYSA-N | AKOS021983070 | PB17637 | A877599 | DS-4991 | 5-Iodo-3-nitropyridin-2(1H)-one | P13440 | SY040

Storage

Room temperature

Specifications

Synonyme

5-Iodo-3-nitro-pyridin-2-ol | 5-Iodo-3-nitropyridin-2-ol | FT-0678604 | MFCD09743049 | I10209 | 2-Hydroxy-5-iodo-3-nitropyridine | JCNPQYWDKONAFU-UHFFFAOYSA-N | AKOS021983070 | PB17637 | A877599 | DS-4991 | 5-Iodo-3-nitropyridin-2(1H)-one | P13440 | SY040

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504770171

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770171

Kanonisches Lächeln

C1=C(C(=O)NC=C1I)[N+](=O)[O-]

IUPAC Name

5-iodo-3-nitro-1H-pyridin-2-one

InChIKey

JCNPQYWDKONAFU-UHFFFAOYSA-N

INCHI

1S/C5H3IN2O3/c6-3-1-4(8(10)11)5(9)7-2-3/h1-2H,(H,7,9)

Isomere SMILES

C1=C(C(=O)NC=C1I)[N+](=O)[O-]

Molekulargewicht

265.99

Reaxy-Rn

18286189

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18286189&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Klasse Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Ebene5 C-nitro compounds
          • Ebene6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Klasse: 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 Aryl iodides Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Dihydropyridine - Pyridinone - Aryl halide - Aryl iodide - Hydropyridine - Pyridine - Heteroaromatic compound - Lactam - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 265.990 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 265.919 Da
• Monoisotopic Mass: 265.919 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 276.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 25391-59-7, the molecular formula is C5H3IN2O3, and the molecular weight is 265.99 g/mol. InChIKey JCNPQYWDKONAFU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.