Ethyl 2-chloro-5-nitronicotinate - ≥97% , CAS No.151322-83-7

CAS: 151322-83-7 Cat. No.: E181665 Peso molecular: 230.6 Número EC: 640-753-8

GRADE & PURITY ≥97%

Synonyms

A3329 | MFCD07368896 | 3-Pyridinecarboxylic acid, 2-chloro-5-nitro-, ethyl ester | AB32148 | SCHEMBL9593080 | J-520731 | DTXSID00566176 | EE-0706 | FT-0650032 | Ethyl 2-chloro-5-nitronicotinate | ethyl 2-chloro-5-nitropyridine-3-carboxylate | AM84472 | 2-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A3329 | MFCD07368896 | 3-Pyridinecarboxylic acid, 2-chloro-5-nitro-, ethyl ester | AB32148 | SCHEMBL9593080 | J-520731 | DTXSID00566176 | EE-0706 | FT-0650032 | Ethyl 2-chloro-5-nitronicotinate | ethyl 2-chloro-5-nitropyridine-3-carboxylate | AM84472 | 2-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=C(N=CC(=C1)[N+](=O)[O-])Cl
• IUPAC Name: ethyl 2-chloro-5-nitropyridine-3-carboxylate
• InChIKey: OXOWYVJYDSTHGX-UHFFFAOYSA-N
• INCHI: 1S/C8H7ClN2O4/c1-2-15-8(12)6-3-5(11(13)14)4-10-7(6)9/h3-4H,2H2,1H3
• Isómeros SMILES: CCOC(=O)C1=C(N=CC(=C1)[N+](=O)[O-])Cl
• Peso molecular: 230.6
• Reaxy-Rn: 6599935
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6599935&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: Nitroaromatic compounds 2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organonitrogen compounds Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Nitroaromatic compound - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic cation - 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: 230.600 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 230.009 Da
• Monoisotopic Mass: 230.009 Da
• Topological Polar Surface Area: 85.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 256.000
• 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