methyl 5-hydroxypyridine-2-carboxylate - ≥97% , CAS No.30766-12-2

CAS: 30766-12-2 Cat. No.: M176070 Molecular Weight: 153.14 EC Number: 857-630-1

GRADE & PURITY ≥97%

Synonyms

DTXSID80405832 | METHYL 5-HYDROXY-2-PYRIDINECARBOXYLATE | AS-5315 | SCHEMBL164488 | 2-PYRIDINECARBOXYLIC ACID, 5-HYDROXY-, METHYL ESTER | EN300-316372 | 5-HYDROXY-2-PYRIDINECARBOXYLIC ACID METHYL ESTER | 5-hydroxy-pyridine-2-carboxylic acid methyl ester,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID80405832 | METHYL 5-HYDROXY-2-PYRIDINECARBOXYLATE | AS-5315 | SCHEMBL164488 | 2-PYRIDINECARBOXYLIC ACID, 5-HYDROXY-, METHYL ESTER | EN300-316372 | 5-HYDROXY-2-PYRIDINECARBOXYLIC ACID METHYL ESTER | 5-hydroxy-pyridine-2-carboxylic acid methyl ester,

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488194977
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194977
• Canonical Smiles: COC(=O)C1=NC=C(C=C1)O
• IUPAC Name: methyl 5-hydroxypyridine-2-carboxylate
• InChIKey: YYAYXDDHGPXWTA-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO3/c1-11-7(10)6-3-2-5(9)4-8-6/h2-4,9H,1H3
• Isomeric SMILES: COC(=O)C1=NC=C(C=C1)O
• Molecular Weight: 153.14
• Reaxy-Rn: 129461
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=129461&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Hydroxypyridines Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Hydroxypyridine - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - 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

Chemical and Physical Properties

• Molecular Weight: 153.140 g/mol
• XLogP3: 0.000
• 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

References

1. Yi Zhang, Ruijia Wang, Wei Lu, Wanning Li, Si Chen, Tao Chen.  (2022)  Mechanical tough and multicolor aggregation-induced emissive polymeric hydrogels for fluorescent patterning.  Nanoscale Advances,  5  (3): (725-732).  [PMID:36756500] [10.1039/D2NA00757F]