6-Hydroxynicotinic Acid - ≥98% , CAS No.5006-66-6

CAS: 5006-66-6 Cat. No.: H108017 Fórmula: C₆H₅NO₃ Peso molecular: 139.11 Beilstein Registry Number: 22215 Número CE: 225-682-9

GRADE & PURITY ≥98%

Synonyms

6-oxonicotinic acid | NSC53377 | NSC-53377 | W-105987 | 2-Hydroxy-5-carboxypyridine | EN300-21525 | SR-01000945209-1 | 6-Oxo-1,6-dihydro-3-pyridinecarboxylic acid # | FT-0659077 | STK687617 | BS-3788 | AM20061258 | 6-HYDROXYNICOTINIC ACID [USP-RS] | indox

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

6-oxonicotinic acid | NSC53377 | NSC-53377 | W-105987 | 2-Hydroxy-5-carboxypyridine | EN300-21525 | SR-01000945209-1 | 6-Oxo-1,6-dihydro-3-pyridinecarboxylic acid # | FT-0659077 | STK687617 | BS-3788 | AM20061258 | 6-HYDROXYNICOTINIC ACID [USP-RS] | indox

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488184742

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184742

Sorrisos canónicos

C1=CC(=O)NC=C1C(=O)O

IUPAC Name

6-oxo-1H-pyridine-3-carboxylic acid

InChIKey

BLHCMGRVFXRYRN-UHFFFAOYSA-N

INCHI

1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)

SMILES isoméricas

C1=CC(=O)NC=C1C(=O)O

WGK Alemanha

3

Peso molecular

139.11

Beilstein

22215

Reaxy-Rn

472182

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=472182&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 Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Hydroxypyridine - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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: Pyridine alkaloids

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 300°C
• Peso molecular: 139.110 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.027 Da
• Monoisotopic Mass: 139.027 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 239.000
• 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

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 5006-66-6, the molecular formula is C6H5NO3, and the molecular weight is 139.11 g/mol. InChIKey BLHCMGRVFXRYRN-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.