2-Methoxy-6-(pyrrolidin-1-yl)nicotinic acid - ≥95% , CAS No.1228665-72-2

CAS: 1228665-72-2 Cat. No.: M180456 Peso molecular: 222.2

GRADE & PURITY ≥95%

Synonyms

AKOS015851789 | 2-Methoxy-6-(pyrrolidin-1-yl)nicotinic acid | FT-0706854 | 2-methoxy-6-pyrrolidin-1-ylpyridine-3-carboxylic acid | 2-methoxy-6-(pyrrolidin-1-yl)pyridine-3-carboxylic acid | 1228665-72-2 | 2-Methoxy-6-(pyrrolidin-1-yl)nicotinic acid, Aldric

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS015851789 | 2-Methoxy-6-(pyrrolidin-1-yl)nicotinic acid | FT-0706854 | 2-methoxy-6-pyrrolidin-1-ylpyridine-3-carboxylic acid | 2-methoxy-6-(pyrrolidin-1-yl)pyridine-3-carboxylic acid | 1228665-72-2 | 2-Methoxy-6-(pyrrolidin-1-yl)nicotinic acid, Aldric

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=CC(=N1)N2CCCC2)C(=O)O
• IUPAC Name: 2-methoxy-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
• InChIKey: XWNCVUABFXDCBB-UHFFFAOYSA-N
• INCHI: 1S/C11H14N2O3/c1-16-10-8(11(14)15)4-5-9(12-10)13-6-2-3-7-13/h4-5H,2-3,6-7H2,1H3,(H,14,15)
• Isómeros SMILES: COC1=C(C=CC(=N1)N2CCCC2)C(=O)O
• Peso molecular: 222.2
• Reaxy-Rn: 39906951
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39906951&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: Dialkylarylamines Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Pyrrolidines Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Imidolactam - Pyrrolidine - Heteroaromatic compound - Amino acid - Tertiary amine - Amino acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - 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

• Peso molecular: 222.240 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 222.1 Da
• Monoisotopic Mass: 222.1 Da
• Topological Polar Surface Area: 62.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 254.000
• 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