5-Hydroxynicotinic Acid Methyl Ester - ≥98% , CAS No.30766-22-4

CAS: 30766-22-4 Cat. No.: H128111 Formula: C₇H₇NO₃ Peso molecolare: 153.14 Beilstein Registry Number: 22(5)5,113 Numero EC: 624-612-8

GRADE & PURITY ≥98%

Synonyms

5-hydroxy nicotinic acid methyl ester | AB04590 | FT-0655068 | NSC605540 | NSC-605540 | H0841 | Methyl 5-hydroxy-3-pyridinecarboxylate, 97% | SCHEMBL342817 | Methyl 5-hydroxynicotinate | methyl 5-hydroxynicotinate- | methyl-5-hydroxypyridine-3-carboxylate

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

5-hydroxy nicotinic acid methyl ester | AB04590 | FT-0655068 | NSC605540 | NSC-605540 | H0841 | Methyl 5-hydroxy-3-pyridinecarboxylate, 97% | SCHEMBL342817 | Methyl 5-hydroxynicotinate | methyl 5-hydroxynicotinate- | methyl-5-hydroxypyridine-3-carboxylate

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488189628

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189628

Sorrisi canonici

COC(=O)C1=CC(=CN=C1)O

IUPAC Name

methyl 5-hydroxypyridine-3-carboxylate

InChIKey

KJJSHOHQQHACLE-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

COC(=O)C1=CC(=CN=C1)O

WGK Germania

3

Peso molecolare

153.14

Beilstein

22(5)5,113

Reaxy-Rn

473048

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=473048&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 Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Hydroxypyridine - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 190 °C
• Peso molecolare: 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

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 30766-22-4, the molecular formula is C7H7NO3, and the molecular weight is 153.14 g/mol. InChIKey KJJSHOHQQHACLE-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.