2,6-Dichloro-3-hydroxyisonicotinic acid - ≥98% , CAS No.185422-96-2

CAS: 185422-96-2 Cat. No.: D191738 Summenformel: C₆H₃Cl₂NO₃ Molekulargewicht: 208.00

GRADE & PURITY ≥98%

Synonyms

DTXSID60376273 | 2,6-dichloro-3-hydroxypyridine-4-carboxylic acid | SCHEMBL8606559 | 4-Pyridinecarboxylicacid,2,6-dichloro-3-hydroxy- | FT-0610567 | 2,6-Dichloro-3-hydroxyisonicotinic acid | A812957 | DS-11230 | MFCD03411718 | 6-(2-PHENYL-PYRROLIDIN-1-YL)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

DTXSID60376273 | 2,6-dichloro-3-hydroxypyridine-4-carboxylic acid | SCHEMBL8606559 | 4-Pyridinecarboxylicacid,2,6-dichloro-3-hydroxy- | FT-0610567 | 2,6-Dichloro-3-hydroxyisonicotinic acid | A812957 | DS-11230 | MFCD03411718 | 6-(2-PHENYL-PYRROLIDIN-1-YL)

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

C1=C(C(=C(N=C1Cl)Cl)O)C(=O)O

IUPAC Name

2,6-dichloro-3-hydroxypyridine-4-carboxylic acid

InChIKey

LOQNBXJKGZGLCJ-UHFFFAOYSA-N

INCHI

1S/C6H3Cl2NO3/c7-3-1-2(6(11)12)4(10)5(8)9-3/h1,10H,(H,11,12)

Isomere SMILES

C1=C(C(=C(N=C1Cl)Cl)O)C(=O)O

Molekulargewicht

208.00

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Polyhalopyridines Hydroxypyridines 2-halopyridines Aryl chlorides Vinylogous acids 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 - Hydroxypyridine - Aryl chloride - Aryl halide - Vinylogous acid - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 208.000 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 206.949 Da
• Monoisotopic Mass: 206.949 Da
• Topological Polar Surface Area: 70.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 190.000
• 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