4-amino-6-chloropyridine-3-carboxylic acid - ≥97% , CAS No.1060811-65-5

CAS: 1060811-65-5 Cat. No.: A171860 Peso molecular: 172.57 Número EC: 878-240-8

GRADE & PURITY ≥97%

Synonyms

AKOS016011125 | OMMNRIZZCGZOIK-UHFFFAOYSA-N | AMY33801 | DTXSID10610533 | 3-PYRIDINECARBOXYLIC ACID, 4-AMINO-6-CHLORO- | 1060811-65-5 | BB 0261924 | EN300-96141 | SY097863 | 4-AMINO-6-CHLORONICOTINICACID | PB12156 | 4-Amino-6-chloronicotinic acid | DS-640

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS016011125 | OMMNRIZZCGZOIK-UHFFFAOYSA-N | AMY33801 | DTXSID10610533 | 3-PYRIDINECARBOXYLIC ACID, 4-AMINO-6-CHLORO- | 1060811-65-5 | BB 0261924 | EN300-96141 | SY097863 | 4-AMINO-6-CHLORONICOTINICACID | PB12156 | 4-Amino-6-chloronicotinic acid | DS-640

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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=C(C(=CN=C1Cl)C(=O)O)N
• IUPAC Name: 4-amino-6-chloropyridine-3-carboxylic acid
• InChIKey: OMMNRIZZCGZOIK-UHFFFAOYSA-N
• INCHI: 1S/C6H5ClN2O2/c7-5-1-4(8)3(2-9-5)6(10)11/h1-2H,(H2,8,9)(H,10,11)
• Isómeros SMILES: C1=C(C(=CN=C1Cl)C(=O)O)N
• Peso molecular: 172.57
• Reaxy-Rn: 29538825
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29538825&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 2-halopyridines Aryl chlorides Vinylogous amides Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Primary amines Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Aminopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Vinylogous amide - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Azacycle - Carboxylic acid - Carboxylic acid derivative - Amine - Primary amine - 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 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: 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