5-Chloro-6-hydroxynicotinic Acid - ≥95% , CAS No.54127-63-8

CAS: 54127-63-8 Cat. No.: C153745 Peso molecular: 173.55 Beilstein Registry Number: 22(2)166 Número EC: 628-466-6

GRADE & PURITY ≥95%

Synonyms

5-CHLORO-6-OXO-1,6-DIHYDROPYRIDINE-3-CARBOXYLIC ACID | SCHEMBL199221 | 3-Chloro-2-hydroxypyridine-5-carboxylic acid | AKOS023203854 | 5-Chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid | AMY23286 | 5-Chloro-6-hydroxynicotinic acid | C1758 | Tripelennami

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5-CHLORO-6-OXO-1, 6-DIHYDROPYRIDINE-3-CARBOXYLIC ACID | SCHEMBL199221 | 3-Chloro-2-hydroxypyridine-5-carboxylic acid | AKOS023203854 | 5-Chloro-6-oxo-1, 6-dihydro-3-pyridinecarboxylic acid | AMY23286 | 5-Chloro-6-hydroxynicotinic acid | C1758 | Tripelennami

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488190613
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190613
• Sonrisas canónicas: C1=C(C(=O)NC=C1C(=O)O)Cl
• IUPAC Name: 5-chloro-6-oxo-1H-pyridine-3-carboxylic acid
• InChIKey: OLTRUTPHSBQWAZ-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2H,(H,8,9)(H,10,11)
• Isómeros SMILES: C1=C(C(=O)NC=C1C(=O)O)Cl
• Peso molecular: 173.55
• Beilstein: 22(2)166
• Reaxy-Rn: 19697894
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19697894&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: Dihydropyridinecarboxylic acids and derivatives Pyridinones Aryl chlorides Vinylogous amides Heteroaromatic compounds Lactams 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: Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Dihydropyridine - Pyridinone - Aryl chloride - Aryl halide - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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

• Punto de fusión (°C): >300℃
• Peso molecular: 173.550 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 172.988 Da
• Monoisotopic Mass: 172.988 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 280.000
• 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