6-Chloro-4-methoxynicotinic acid - ≥98% , CAS No.716362-10-6

CAS: 716362-10-6 Cat. No.: C186215 Peso molecular: 187.58 Número EC: 962-793-8

GRADE & PURITY ≥98%

Synonyms

J-518570 | KD-0738 | AB55875 | SY007902 | AKOS005073397 | AC-7710 | 6-chloro-4-methoxynicotinic acid | 6-chloro-4-methoxy-nicotinic acid | AM20061461 | FT-0664763 | 6-chloro-4-methoxy-3-pyridinecarboxylic acid, AldrichCPR | 6-chloro-4-methoxy-pyridine-3-c

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

J-518570 | KD-0738 | AB55875 | SY007902 | AKOS005073397 | AC-7710 | 6-chloro-4-methoxynicotinic acid | 6-chloro-4-methoxy-nicotinic acid | AM20061461 | FT-0664763 | 6-chloro-4-methoxy-3-pyridinecarboxylic acid, AldrichCPR | 6-chloro-4-methoxy-pyridine-3-c

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC(=NC=C1C(=O)O)Cl
• IUPAC Name: 6-chloro-4-methoxypyridine-3-carboxylic acid
• InChIKey: DFXUFJAAXAJWSA-UHFFFAOYSA-N
• INCHI: 1S/C7H6ClNO3/c1-12-5-2-6(8)9-3-4(5)7(10)11/h2-3H,1H3,(H,10,11)
• Isómeros SMILES: COC1=CC(=NC=C1C(=O)O)Cl
• Peso molecular: 187.58
• Reaxy-Rn: 18763832
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18763832&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: Alkyl aryl ethers 2-halopyridines Aryl chlorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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: 187.580 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 187.004 Da
• Monoisotopic Mass: 187.004 Da
• Topological Polar Surface Area: 59.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 176.000
• 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