Methyl Pyridine-2-carboxylate - ≥98%(GC) , CAS No.2459-07-6

CAS: 2459-07-6 Cat. No.: M157799 Molecular Weight: 137.14 EC Number: 219-545-2

GRADE & PURITY ≥98%(GC)

Synonyms

Methyl picolinate | Methyl pyridine-2-carboxylate | O11979 | 2-Carbomethoxypyridine | 5-ethyl-2,2-dimethylthiomorpholin-3-one | FT-0628794 | 2,4-dichloro-pyridine | AM20070160 | Picolinic acid, methyl ester | Z19673259 | AC-22483 | BCP25790 | NSC1459 | NS

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Methyl picolinate (MP) exists in two conformers i.e s-trans and s-cis. Molecular structure of these forms has been investigated by gas electron diffraction.
Methyl picolinate may be used in the synthesis of: 3-substituted-imidazo[1,5-α]pyridines N-benzylpicolinamide 3-phenylsubstituted imidazo[1,5-α]pyridines pyrimine 4,6-dipyridylpyrimidine

Specifications

Synonyms

Methyl picolinate | Methyl pyridine-2-carboxylate | O11979 | 2-Carbomethoxypyridine | 5-ethyl-2, 2-dimethylthiomorpholin-3-one | FT-0628794 | 2, 4-dichloro-pyridine | AM20070160 | Picolinic acid, methyl ester | Z19673259 | AC-22483 | BCP25790 | NSC1459 | NS

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504754964
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754964
• Canonical Smiles: COC(=O)C1=CC=CC=N1
• IUPAC Name: methyl pyridine-2-carboxylate
• InChIKey: NMMIHXMBOZYNET-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO2/c1-10-7(9)6-4-2-3-5-8-6/h2-5H,1H3
• Isomeric SMILES: COC(=O)C1=CC=CC=N1
• Molecular Weight: 137.14
• Reaxy-Rn: 114399
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114399&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: 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 - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in water.
• Sensitivity: air sensitive
• Refractive Index: 1.521(lit.)
• Flash Point(°F): 103°C
• Flash Point(°C): 103°C
• Boil Point(°C): 95°C/1 mmHg(lit.)
• Melt Point(°C): 19 °C
• Molecular Weight: 137.140 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 137.048 Da
• Monoisotopic Mass: 137.048 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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