5-Hydroxynicotinic Acid - ≥98% , CAS No.27828-71-3

CAS: 27828-71-3 Cat. No.: H128109 Fórmula: C₆H₅NO₃ Peso molecular: 139.11 Beilstein Registry Number: 115847 Número CE: 622-583-6

GRAU & PUREZA ≥98%

Synonyms

Q27455772 | 3-Hydroxypyridine-5-carboxylic acid | SCHEMBL186161 | BDBM50391823 | 5-Hydroxynicotinic acid | 5-Hydroxy-nicotinic acid | BBL010930 | NCGC00342404-01 | AM20051033 | 3-HYDROXY-5-PYRIDINECARBOXYLIC ACID | FT-0621168 | ATTDCVLRGFEHEO-UHFFFAOYSA-N

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

Q27455772 | 3-Hydroxypyridine-5-carboxylic acid | SCHEMBL186161 | BDBM50391823 | 5-Hydroxynicotinic acid | 5-Hydroxy-nicotinic acid | BBL010930 | NCGC00342404-01 | AM20051033 | 3-HYDROXY-5-PYRIDINECARBOXYLIC ACID | FT-0621168 | ATTDCVLRGFEHEO-UHFFFAOYSA-N

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488183239

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183239

Sorrisos canónicos

C1=C(C=NC=C1O)C(=O)O

IUPAC Name

5-hydroxypyridine-3-carboxylic acid

InChIKey

ATTDCVLRGFEHEO-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

C1=C(C=NC=C1O)C(=O)O

WGK Alemanha

3

RTECS

QT1757500

Peso molecular

139.11

Beilstein

115847

Reaxy-Rn

115847

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115847&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: 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

Alvos associados (humanos)

DAO Tchem D-amino-acid oxidase (802 Activities)

Discover Target: DAO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DDO Tchem D-aspartate oxidase (120 Activities)

Discover Target: DDO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Hcar2 Hydroxycarboxylic acid receptor 2 (55 Activities)

Discover Target: Hcar2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 299°C
• Peso molecular: 139.110 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 139.027 Da
• Monoisotopic Mass: 139.027 Da
• Topological Polar Surface Area: 70.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 137.000
• 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 27828-71-3, the molecular formula is C6H5NO3, and the molecular weight is 139.11 g/mol. InChIKey ATTDCVLRGFEHEO-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.