2-Chloro-5-hydroxyisonicotinaldehyde - ≥98% , CAS No.1060804-53-6

CAS: 1060804-53-6 Cat. No.: C189536 Formule: C₆H₄ClNO₂ Poids moléculaire: 157.55 Numéro CE: 890-556-8

GRADE & PURITY ≥98%

Synonyms

1060804-53-6 | 2-Chloro-5-hydroxy-4-pyridinecarboxaldehyde | EN300-153644 | SY026712 | 2-chloro-5-hydroxyisonicotinaldehyde | SCHEMBL1389512 | DTXSID30719118 | MFCD13189121 | Z1255357850 | A849358 | 2-Chloro-4-Carbaldehyde-5-Hydroxypyridine | AKOS02217198

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1060804-53-6 | 2-Chloro-5-hydroxy-4-pyridinecarboxaldehyde | EN300-153644 | SY026712 | 2-chloro-5-hydroxyisonicotinaldehyde | SCHEMBL1389512 | DTXSID30719118 | MFCD13189121 | Z1255357850 | A849358 | 2-Chloro-4-Carbaldehyde-5-Hydroxypyridine | AKOS02217198

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: C1=C(C(=CN=C1Cl)O)C=O
• IUPAC Name: 2-chloro-5-hydroxypyridine-4-carbaldehyde
• InChIKey: HZSDMQCOOUNXRC-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClNO2/c7-6-1-4(3-9)5(10)2-8-6/h1-3,10H
• Isomères SMILES: C1=C(C(=CN=C1Cl)O)C=O
• Poids moléculaire: 157.55
• Reaxy-Rn: 21392870
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21392870&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridine carboxaldehydes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Hydroxypyridines Aryl-aldehydes 2-halopyridines Aryl chlorides Vinylogous acids Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-pyridine carboxaldehyde - 2-halopyridine - Hydroxypyridine - Aryl-aldehyde - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous acid - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde 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: 157.550 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.993 Da
• Monoisotopic Mass: 156.993 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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