Ethyl 2,4-Dihydroxy-6-methylnicotinate - ≥98% , CAS No.70254-52-3

CAS: 70254-52-3 Cat. No.: E137006 Formula: C₉H₁₁NO₄ Peso molecolare: 197.19 Numero EC: 676-990-9

GRADE & PURITY ≥98%

Synonyms

SY020959 | 3-Pyridinecarboxylicacid, 1,2-dihydro-4-hydroxy-6-methyl-2-oxo-, ethyl ester | Ethyl 2,4-dihydroxy-6-methylnicotinate, AldrichCPR | Nicotinic acid, 1,2-dihydro-4-hydroxy-6-methyl-2-oxo-, ethyl ester | 2,4-Dihydroxy-6-methylnicotinic Acid Ethyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SY020959 | 3-Pyridinecarboxylicacid, 1,2-dihydro-4-hydroxy-6-methyl-2-oxo-, ethyl ester | Ethyl 2,4-dihydroxy-6-methylnicotinate, AldrichCPR | Nicotinic acid, 1,2-dihydro-4-hydroxy-6-methyl-2-oxo-, ethyl ester | 2,4-Dihydroxy-6-methylnicotinic Acid Ethyl

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488201686

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201686

Sorrisi canonici

CCOC(=O)C1=C(C=C(NC1=O)C)O

IUPAC Name

ethyl 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate

InChIKey

CMCZAWPDHHYFPU-UHFFFAOYSA-N

INCHI

1S/C9H11NO4/c1-3-14-9(13)7-6(11)4-5(2)10-8(7)12/h4H,3H2,1-2H3,(H2,10,11,12)

Isomeri SMILES

CCOC(=O)C1=C(C=C(NC1=O)C)O

Peso molecolare

197.19

Reaxy-Rn

475705

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=475705&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: Methylpyridines Hydroxypyridines Vinylogous acids Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Methylpyridine - Hydroxypyridine - Heteroaromatic compound - Vinylogous acid - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Obiettivi associati (umani)

HepG2 (196354 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in methanol
• Punto di fusione (°C): 210°C(lit.)
• Peso molecolare: 197.190 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 197.069 Da
• Monoisotopic Mass: 197.069 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 341.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 70254-52-3, the molecular formula is C9H11NO4, and the molecular weight is 197.19 g/mol. InChIKey CMCZAWPDHHYFPU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.