2,6-Dichloropyridine-3-carboxylic acid - ≥98% , CAS No.38496-18-3

CAS: 38496-18-3 Cat. No.: D124303 Peso molecular: 192 Beilstein Registry Number: 136114 Número EC: 609-561-1

GRADE & PURITY ≥98%

Synonyms

A6519 | AJPKQSSFYHPYMH-UHFFFAOYSA-N | Z829930522 | CHEBI:194742 | 2,6-dichloro-pyridine-3-carboxylic acid | 2,6-Dichloropyridine-3-carboxylic acid | MFCD00075583 | HY-W002323 | W-202590 | 2,6-Dichloro-3-pyridinecarboxylic acid | AM20070070 | BCP08665 | 2

Storage

Room temperature

Shipped In

Normal

Descripción general

Component in the preparation of pyridine derivatives, used as inhibitors of human 11β hydroxysteroid dehydrogenase type 1 enzymes.
A component in the preparation of pyridine derivatives.

Specifications

Sinónimos

A6519 | AJPKQSSFYHPYMH-UHFFFAOYSA-N | Z829930522 | CHEBI:194742 | 2, 6-dichloro-pyridine-3-carboxylic acid | 2, 6-Dichloropyridine-3-carboxylic acid | MFCD00075583 | HY-W002323 | W-202590 | 2, 6-Dichloro-3-pyridinecarboxylic acid | AM20070070 | BCP08665 | 2

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488191641
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191641
• Sonrisas canónicas: C1=CC(=NC(=C1C(=O)O)Cl)Cl
• IUPAC Name: 2,6-dichloropyridine-3-carboxylic acid
• InChIKey: AJPKQSSFYHPYMH-UHFFFAOYSA-N
• INCHI: 1S/C6H3Cl2NO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H,10,11)
• Isómeros SMILES: C1=CC(=NC(=C1C(=O)O)Cl)Cl
• WGK Alemania: 3
• Peso molecular: 192
• Beilstein: 136114
• Reaxy-Rn: 136114
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136114&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 2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - 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

Objetivos asociados (humanos)

RNASEL Tchem RNase L (193 Activities)

Discover Target: RNASEL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 146-151°C
• Peso molecular: 192.000 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.954 Da
• Monoisotopic Mass: 190.954 Da
• Topological Polar Surface Area: 50.200 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