2-Chloro-5-hydroxynicotinic acid - ≥95% , CAS No.42959-40-0

CAS: 42959-40-0 Cat. No.: C193384 Formule: C₆H₄ClNO₃ Poids moléculaire: 173.55

QUALITÉ & PURETÉ ≥95%

Synonyms

EN300-121615 | SY109273 | A872784 | 2-CHLORO-5-HYDROXYNICOTINIC ACID | DS-6060 | F13413 | 2-CHLORO-5-HYDROXYPYRIDINE-3-CARBOXYLIC ACID | AKOS016009880 | MFCD09757509 | SCHEMBL4719997 | DTXSID70514962

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Spécifications

Synonymes

EN300-121615 | SY109273 | A872784 | 2-CHLORO-5-HYDROXYNICOTINIC ACID | DS-6060 | F13413 | 2-CHLORO-5-HYDROXYPYRIDINE-3-CARBOXYLIC ACID | AKOS016009880 | MFCD09757509 | SCHEMBL4719997 | DTXSID70514962

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Sourires canoniques

C1=C(C=NC(=C1C(=O)O)Cl)O

IUPAC Name

2-chloro-5-hydroxypyridine-3-carboxylic acid

InChIKey

OKIASDFNVMJNDT-UHFFFAOYSA-N

INCHI

1S/C6H4ClNO3/c7-5-4(6(10)11)1-3(9)2-8-5/h1-2,9H,(H,10,11)

Isomères SMILES

C1=C(C=NC(=C1C(=O)O)Cl)O

Poids moléculaire

173.55

Reaxy-Rn

473761

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=473761&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Hydroxypyridines 2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - 2-halopyridine - Hydroxypyridine - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 173.550 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.988 Da
• Monoisotopic Mass: 172.988 Da
• Topological Polar Surface Area: 70.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 164.000
• 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