Methyl 2-amino-5-chloropyridine-3-carboxylate - ≥98% , CAS No.50735-33-6

CAS: 50735-33-6 Cat. No.: M184851 Peso molecular: 186.6 Número EC: 816-991-5

GRADE & PURITY ≥98%

Synonyms

SY103313 | Methyl 2-amino-5-chloronicotinate | AB49362 | SCHEMBL914850 | TS-02617 | METHYL 2-AMINO-5-CHLOROPYRIDINE-3-CARBOXYLATE | FT-0688473 | MFCD09031678 | PEYKGXOKTQNWCI-UHFFFAOYSA-N | 2-AMINO-5-CHLORO-NICOTINICACIDMETHYLESTER | 3-Pyridinecarboxylic

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SY103313 | Methyl 2-amino-5-chloronicotinate | AB49362 | SCHEMBL914850 | TS-02617 | METHYL 2-AMINO-5-CHLOROPYRIDINE-3-CARBOXYLATE | FT-0688473 | MFCD09031678 | PEYKGXOKTQNWCI-UHFFFAOYSA-N | 2-AMINO-5-CHLORO-NICOTINICACIDMETHYLESTER | 3-Pyridinecarboxylic

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488198984
• Sonrisas canónicas: COC(=O)C1=C(N=CC(=C1)Cl)N
• IUPAC Name: methyl 2-amino-5-chloropyridine-3-carboxylate
• InChIKey: PEYKGXOKTQNWCI-UHFFFAOYSA-N
• INCHI: 1S/C7H7ClN2O2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3,(H2,9,10)
• Isómeros SMILES: COC(=O)C1=C(N=CC(=C1)Cl)N
• Peso molecular: 186.6
• Reaxy-Rn: 388842
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=388842&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: Aminopyridines and derivatives Imidolactams Aryl chlorides Vinylogous amides Methyl esters Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Aminopyridine - Aryl chloride - Aryl halide - Imidolactam - Methyl ester - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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

• Sensibilidad: light sensitive
• Peso molecular: 186.590 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 186.02 Da
• Monoisotopic Mass: 186.02 Da
• Topological Polar Surface Area: 65.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 177.000
• 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