Methyl 2-Aminoisonicotinate - ≥98% , CAS No.6937-03-7

CAS: 6937-03-7 Cat. No.: M128098 Peso molecular: 152.15 Beilstein Registry Number: 128642 Número EC: 627-546-8

GRADE & PURITY ≥98%

Synonyms

AQ-776/42801237 | 2-amino-pyridine-4-carboxylic acid methyl ester | 2-Aminopyridine-4-carboxylic acid methyl ester | 2-AMINO-4-PYRIDINECARBOXYLIC ACID METHYL ESTER | AM20070037 | EN300-77679 | J-521946 | Methyl 2-aminopyridine-4-carboxylate | 2-aminopyrid

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AQ-776/42801237 | 2-amino-pyridine-4-carboxylic acid methyl ester | 2-Aminopyridine-4-carboxylic acid methyl ester | 2-AMINO-4-PYRIDINECARBOXYLIC ACID METHYL ESTER | AM20070037 | EN300-77679 | J-521946 | Methyl 2-aminopyridine-4-carboxylate | 2-aminopyrid

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488188893
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188893
• Sonrisas canónicas: COC(=O)C1=CC(=NC=C1)N
• IUPAC Name: methyl 2-aminopyridine-4-carboxylate
• InChIKey: SVWWNEYBEFASMP-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3,(H2,8,9)
• Isómeros SMILES: COC(=O)C1=CC(=NC=C1)N
• WGK Alemania: 2
• Peso molecular: 152.15
• Beilstein: 128642
• Reaxy-Rn: 128642
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128642&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Aminopyridines and derivatives Imidolactams Methyl esters Heteroaromatic compounds Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Aminopyridine - Imidolactam - Methyl ester - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: air sensitive
• Punto de fusión (°C): 145-149℃
• Peso molecular: 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

Referencias

1. Shuai Yan, Haojian Zhang, Renjie Xu, Zonghua Wang.  (2023)  Solubility Measurement and Modeling of Methyl 2-Aminopyridine-4-carboxylate in Four Binary Blends and Eight Monosolvents from 278.15 to 323.15 K.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.3c00268]