2,6-Dichloro-4-methylnicotinic acid methyl ester - ≥98% , CAS No.1013648-04-8

CAS: 1013648-04-8 Cat. No.: M189319 Peso molecular: 220.05 Número EC: 813-679-0

GRADE & PURITY ≥98%

Synonyms

Z1269169537 | DS-15566 | MFCD15144593 | SCHEMBL1085042 | methyl 2,6-dichloro-4-methylnicotinate | DTXSID40677250 | W17206 | AM20050611 | SY116596 | 2,6-dichloro-4-methyl-pyridine-3-carboxylic acid methylester | AKOS005146328 | FT-0731129 | methyl 2,6-dich

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Z1269169537 | DS-15566 | MFCD15144593 | SCHEMBL1085042 | methyl 2, 6-dichloro-4-methylnicotinate | DTXSID40677250 | W17206 | AM20050611 | SY116596 | 2, 6-dichloro-4-methyl-pyridine-3-carboxylic acid methylester | AKOS005146328 | FT-0731129 | methyl 2, 6-dich

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504770859
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770859
• Sonrisas canónicas: CC1=CC(=NC(=C1C(=O)OC)Cl)Cl
• IUPAC Name: methyl 2,6-dichloro-4-methylpyridine-3-carboxylate
• InChIKey: QOTFUYQFPHLJTM-UHFFFAOYSA-N
• INCHI: 1S/C8H7Cl2NO2/c1-4-3-5(9)11-7(10)6(4)8(12)13-2/h3H,1-2H3
• Isómeros SMILES: CC1=CC(=NC(=C1C(=O)OC)Cl)Cl
• Peso molecular: 220.05
• Reaxy-Rn: 18792654
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18792654&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 Methylpyridines 2-halopyridines Aryl chlorides Vinylogous halides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Polyhalopyridine - 2-halopyridine - Methylpyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - 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: 220.050 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.985 Da
• Monoisotopic Mass: 218.985 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 201.000
• 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