2-Hydroxynicotinic acid methyl ester - ≥97% , CAS No.10128-91-3

CAS: 10128-91-3 Cat. No.: H121987 Fórmula: C₇H₇NO₃ Peso molecular: 153.1 Número CE: 692-281-7

GRADE & PURITY ≥97%

Synonyms

methyl 2-hydroxypyridine-3-carboxylate | AC-25219 | NCGC00016613-02 | SCHEMBL107721 | AB44640 | MFCD08275055 | KBioSS_000436 | A835730 | SY081645 | AKOS005070599 | AKOS006241744 | 2-hydroxynicotinic acid methyl ester | DTXSID40906037 | F1907-2345 | Methyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

methyl 2-hydroxypyridine-3-carboxylate | AC-25219 | NCGC00016613-02 | SCHEMBL107721 | AB44640 | MFCD08275055 | KBioSS_000436 | A835730 | SY081645 | AKOS005070599 | AKOS006241744 | 2-hydroxynicotinic acid methyl ester | DTXSID40906037 | F1907-2345 | Methyl

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: COC(=O)C1=CC=CNC1=O
• IUPAC Name: methyl 2-oxo-1H-pyridine-3-carboxylate
• InChIKey: SILBTMNCGYLTOK-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO3/c1-11-7(10)5-3-2-4-8-6(5)9/h2-4H,1H3,(H,8,9)
• SMILES isoméricas: COC(=O)C1=CC=CNC1=O
• Peso molecular: 153.1
• Reaxy-Rn: 4391466
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4391466&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: Dihydropyridinecarboxylic acids and derivatives Pyridinones Vinylogous amides Methyl esters Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Dihydropyridine - Pyridinone - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Lactam - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 153-155°C
• Peso molecular: 153.140 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 153.043 Da
• Monoisotopic Mass: 153.043 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 252.000
• 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

Perguntas frequentes

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 10128-91-3, the molecular formula is C7H7NO3, and the molecular weight is 153.1 g/mol. InChIKey SILBTMNCGYLTOK-UHFFFAOYSA-N.

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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.