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

CAS: 42959-40-0 Cat. No.: C193384 Summenformel: C₆H₄ClNO₃ Molekulargewicht: 173.55

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥95%

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

≥95%

Namen und Kennungen

Kanonisches Lächeln

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)

Isomere SMILES

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

Molekulargewicht

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
    • 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: 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
• 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: 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