Ethyl 6-chloro-5-methylpicolinate - ≥98% , CAS No.178421-21-1

CAS: 178421-21-1 Cat. No.: E191611 Peso molecular: 199.63

GRADE & PURITY ≥98%

Synonyms

Ethyl 6-chloro-5-methylpicolinate | DS-2735 | SCHEMBL2448187 | 6-chloro-5-methylpyridine-2-carboxylic acid ethyl ester | DTXSID40431551 | AKOS015843446 | SBVZGBHQUUQLID-UHFFFAOYSA-N | Ethyl6-chloro-5-methylpicolinate | MFCD17011770 | Ethyl 6-chloro-5-meth

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Ethyl 6-chloro-5-methylpicolinate | DS-2735 | SCHEMBL2448187 | 6-chloro-5-methylpyridine-2-carboxylic acid ethyl ester | DTXSID40431551 | AKOS015843446 | SBVZGBHQUUQLID-UHFFFAOYSA-N | Ethyl6-chloro-5-methylpicolinate | MFCD17011770 | Ethyl 6-chloro-5-meth

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=NC(=C(C=C1)C)Cl
• IUPAC Name: ethyl 6-chloro-5-methylpyridine-2-carboxylate
• InChIKey: SBVZGBHQUUQLID-UHFFFAOYSA-N
• INCHI: 1S/C9H10ClNO2/c1-3-13-9(12)7-5-4-6(2)8(10)11-7/h4-5H,3H2,1-2H3
• Isómeros SMILES: CCOC(=O)C1=NC(=C(C=C1)C)Cl
• Peso molecular: 199.63
• Reaxy-Rn: 7528161
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7528161&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Level5 Pyridinecarboxylic acids
          • Level6 Pyridine-2-carboxylic acids
            • Level7 5-alkyl-2-carboxypyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxylic acids - Pyridine-2-carboxylic acids
• Direct Parent: 5-alkyl-2-carboxypyrimidines
• Alternative Parents: Methylpyridines 2-halopyridines Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 5-alkyl-2-carboxypyrimidine - 2-halopyridine - Methylpyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 5-alkyl-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkyl group at the 5-position of the pyridine ring.
• 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: 199.630 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.04 Da
• Monoisotopic Mass: 199.04 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 186.000
• 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