2-Amino-4-chloronicotinic acid - ≥97% , CAS No.605661-83-4

CAS: 605661-83-4 Cat. No.: A194156 Peso molecular: 172.57

GRADE & PURITY ≥97%

Synonyms

AKOS016005844 | DTXSID30615601 | MFCD20642341 | DS-2536 | SCHEMBL11819966 | 2-Amino-4-chloronicotinicacid | 2-amino-4-chloropyridine-3-carboxylic acid | 2-Amino-4-chloronicotinic acid | AB76504 | MLPOLUVNNXZDCD-UHFFFAOYSA-N | 3-Pyridinecarboxylic acid, 2-

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AKOS016005844 | DTXSID30615601 | MFCD20642341 | DS-2536 | SCHEMBL11819966 | 2-Amino-4-chloronicotinicacid | 2-amino-4-chloropyridine-3-carboxylic acid | 2-Amino-4-chloronicotinic acid | AB76504 | MLPOLUVNNXZDCD-UHFFFAOYSA-N | 3-Pyridinecarboxylic acid, 2-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CN=C(C(=C1Cl)C(=O)O)N
• IUPAC Name: 2-amino-4-chloropyridine-3-carboxylic acid
• InChIKey: MLPOLUVNNXZDCD-UHFFFAOYSA-N
• INCHI: 1S/C6H5ClN2O2/c7-3-1-2-9-5(8)4(3)6(10)11/h1-2H,(H2,8,9)(H,10,11)
• Isómeros SMILES: C1=CN=C(C(=C1Cl)C(=O)O)N
• Peso molecular: 172.57
• Reaxy-Rn: 383831
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=383831&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: 1-carboxy-2-haloaromatic compounds Aminopyridines and derivatives Imidolactams Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Amino acids Azacyclic compounds Primary amines Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - 1-carboxy-2-haloaromatic compound - Aminopyridine - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Primary amine - 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

• Sensibilidad: Light sensitive
• Peso molecular: 172.570 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.004 Da
• Monoisotopic Mass: 172.004 Da
• Topological Polar Surface Area: 76.200 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