ácido 2,5-dibromoisonicotínico - ≥98% , CAS No.942473-59-8

CAS: 942473-59-8 Cat. No.: D188494 Peso molecular: 280.9 Número EC: 675-595-9

GRADE & PURITY ≥98%

Synonyms

CLIZDLYBXIPXCR-UHFFFAOYSA-N | SCHEMBL2249284 | Ácido 2,5-Dibromopiridin-4-carboxílico | DTXSID90649942 | ÁCIDO 2,5-BIBROMOISONICOTÍNICO | Ácido 2,5-dibromoisonicotínico | Ácido 2,5-Dibromo-isonicotínico | Ácido 2,5-Dibromo-isonicotínico | MFCD08741485 | 2

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

CLIZDLYBXIPXCR-UHFFFAOYSA-N | SCHEMBL2249284 | Ácido 2, 5-Dibromopiridin-4-carboxílico | DTXSID90649942 | ÁCIDO 2, 5-BIBROMOISONICOTÍNICO | Ácido 2, 5-dibromoisonicotínico | Ácido 2, 5-Dibromo-isonicotínico | Ácido 2, 5-Dibromo-isonicotínico | MFCD08741485 | 2

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=C(C(=CN=C1Br)Br)C(=O)O
• IUPAC Name: 2,5-dibromopyridine-4-carboxylic acid
• InChIKey: CLIZDLYBXIPXCR-UHFFFAOYSA-N
• INCHI: 1S/C6H3Br2NO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H,10,11)
• Isómeros SMILES: C1=C(C(=CN=C1Br)Br)C(=O)O
• Peso molecular: 280.9
• Reaxy-Rn: 20220056
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20220056&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Polyhalopyridines 1-carboxy-2-haloaromatic compounds 2-halopyridines Aryl bromides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Polyhalopyridine - 1-carboxy-2-haloaromatic compound - 2-halopyridine - Aryl bromide - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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

• Peso molecular: 280.900 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 280.851 Da
• Monoisotopic Mass: 278.853 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• 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