5-amino-2-fluoropyridine-4-carboxylic acid - ≥97% , CAS No.171178-43-1

CAS: 171178-43-1 Cat. No.: A174940 Peso molecular: 156.116 Número EC: 695-775-0

GRADE & PURITY ≥97%

Synonyms

AM85424 | FT-0619979 | 5-amino-2-fluoroisonicotinic acid | 5-Amino-2-fluoro-isonicotinic acid | EN300-112145 | A811300 | SY046590 | 5-amino-2-fluoro-pyridine-4-carboxylic acid;5-Amino-2-fluoroisonicotinic Acid | PB14345 | 5-Amino-2-fluoroisonicotinic acid

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AM85424 | FT-0619979 | 5-amino-2-fluoroisonicotinic acid | 5-Amino-2-fluoro-isonicotinic acid | EN300-112145 | A811300 | SY046590 | 5-amino-2-fluoro-pyridine-4-carboxylic acid;5-Amino-2-fluoroisonicotinic Acid | PB14345 | 5-Amino-2-fluoroisonicotinic acid

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488193288
• Sonrisas canónicas: C1=C(C(=CN=C1F)N)C(=O)O
• IUPAC Name: 5-amino-2-fluoropyridine-4-carboxylic acid
• InChIKey: DKYUCRYPZALEMP-UHFFFAOYSA-N
• INCHI: 1S/C6H5FN2O2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2H,8H2,(H,10,11)
• Isómeros SMILES: C1=C(C(=CN=C1F)N)C(=O)O
• Peso molecular: 156.116
• Reaxy-Rn: 7527788
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7527788&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 2-halopyridines Aryl fluorides Vinylogous amides Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Aminopyridine - 2-halopyridine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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: 156.110 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 156.034 Da
• Monoisotopic Mass: 156.034 Da
• Topological Polar Surface Area: 76.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• 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