methyl 5-aminopyridine-2-carboxylate - ≥98% , CAS No.67515-76-8

CAS: 67515-76-8 Cat. No.: M177143 Molecular Weight: 152.153 EC Number: 855-331-0

GRADE & PURITY ≥98%

Synonyms

2-PYRIDINECARBOXYLIC ACID, 5-AMINO-, METHYL ESTER | 2-Pyridinecarboxylicacid,5-amino-,methyl ester | METHYL 5-AMINO-2-PYRIDINECARBOXYLATE | methyl 5-aminopicolinate | methy 5-aminopyridine-2-carboxylate | FT-0649128 | FS-2786 | IMIDAZO[1,2-A]PYRIDIN-3-YL-

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2-PYRIDINECARBOXYLIC ACID, 5-AMINO-, METHYL ESTER | 2-Pyridinecarboxylicacid, 5-amino-, methyl ester | METHYL 5-AMINO-2-PYRIDINECARBOXYLATE | methyl 5-aminopicolinate | methy 5-aminopyridine-2-carboxylate | FT-0649128 | FS-2786 | IMIDAZO[1, 2-A]PYRIDIN-3-YL-

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488198110
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198110
• Canonical Smiles: COC(=O)C1=NC=C(C=C1)N
• IUPAC Name: methyl 5-aminopyridine-2-carboxylate
• InChIKey: LJYSUEZSIXOJFK-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O2/c1-11-7(10)6-3-2-5(8)4-9-6/h2-4H,8H2,1H3
• Isomeric SMILES: COC(=O)C1=NC=C(C=C1)N
• Molecular Weight: 152.153
• Reaxy-Rn: 4246045
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4246045&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: Aminopyridines and derivatives Methyl esters Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Aminopyridine - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen 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

• Sensitivity: Light sensitive
• Boil Point(°C): 333.6°C at 760 mmHg
• Molecular Weight: 152.150 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 152.059 Da
• Monoisotopic Mass: 152.059 Da
• Topological Polar Surface Area: 65.200 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