Ethyl 5-hydroxynicotinate - ≥98% , CAS No.59288-38-9

CAS: 59288-38-9 Cat. No.: E346002 Formule: C₈H₉NO₃ Poids moléculaire: 167.16

GRADE & PURITY ≥98%

Synonyms

ethyl 5-hydroxypyridine-3-carboxylate | HMS2747I03 | MFCD00510027 | 3-Pyridinecarboxylic acid, 5-hydroxy-, ethyl ester | AKOS005458450 | Ethyl 3-hydroxy-5-pyridinecarboxylate | 5-hydroxy-3-pyridinecarboxylic acid ethyl ester | ethyl 5-oxidanylpyridine-3-c

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

ethyl 5-hydroxypyridine-3-carboxylate | HMS2747I03 | MFCD00510027 | 3-Pyridinecarboxylic acid, 5-hydroxy-, ethyl ester | AKOS005458450 | Ethyl 3-hydroxy-5-pyridinecarboxylate | 5-hydroxy-3-pyridinecarboxylic acid ethyl ester | ethyl 5-oxidanylpyridine-3-c

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504760314
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760314
• Sourires canoniques: CCOC(=O)C1=CC(=CN=C1)O
• IUPAC Name: ethyl 5-hydroxypyridine-3-carboxylate
• InChIKey: LFDNUOROKFFJLE-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO3/c1-2-12-8(11)6-3-7(10)5-9-4-6/h3-5,10H,2H2,1H3
• Isomères SMILES: CCOC(=O)C1=CC(=CN=C1)O
• Poids moléculaire: 167.16
• Reaxy-Rn: 473369
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=473369&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 Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Hydroxypyridine - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 167.160 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 167.058 Da
• Monoisotopic Mass: 167.058 Da
• Topological Polar Surface Area: 59.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• 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