5-Methoxynicotinic acid - ≥97% , CAS No.20826-03-3

CAS: 20826-03-3 Cat. No.: M133272 Formule: C₇H₇NO₃ Poids moléculaire: 153.14 Numéro CE: 685-749-7

GRADE & PURITY ≥97%

Synonyms

VDZUWTLBWRZRTR-UHFFFAOYSA-N | 3-PYRIDINECARBOXYLIC ACID, 5-METHOXY- | AM20070161 | SY101244 | DTXSID101313471 | 5-methoxypyridine-3-carboxylic Acid | MFCD01603648 | 5-Methoxypyridine-3-carboxylic acid, 97% | FT-0678833 | 5-Methoxynicotinic acid | 5-Methox

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

VDZUWTLBWRZRTR-UHFFFAOYSA-N | 3-PYRIDINECARBOXYLIC ACID, 5-METHOXY- | AM20070161 | SY101244 | DTXSID101313471 | 5-methoxypyridine-3-carboxylic Acid | MFCD01603648 | 5-Methoxypyridine-3-carboxylic acid, 97% | FT-0678833 | 5-Methoxynicotinic acid | 5-Methox

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488194983

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194983

Sourires canoniques

COC1=CN=CC(=C1)C(=O)O

IUPAC Name

5-methoxypyridine-3-carboxylic acid

InChIKey

VDZUWTLBWRZRTR-UHFFFAOYSA-N

INCHI

1S/C7H7NO3/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4H,1H3,(H,9,10)

Isomères SMILES

COC1=CN=CC(=C1)C(=O)O

WGK Allemagne

3

Poids moléculaire

153.14

Reaxy-Rn

387440

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=387440&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: Alkyl aryl ethers Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 153.140 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 153.043 Da
• Monoisotopic Mass: 153.043 Da
• Topological Polar Surface Area: 59.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• 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

Foire aux questions

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.

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 20826-03-3, the molecular formula is C7H7NO3, and the molecular weight is 153.14 g/mol. InChIKey VDZUWTLBWRZRTR-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.