6-Amino-3-(3-cyanophenyl)picolinic acid - ≥96% , CAS No.1258632-39-1

CAS: 1258632-39-1 Cat. No.: A180745 Peso molecular: 239.2 PubChem CID: 53229150

GRADE & PURITY ≥96%

Synonyms

6-amino-3-(3-cyanophenyl)pyridine-2-carboxylic acid; | A889913 | BS-19978 | DTXSID00692424 | 6-amino-3-(3-cyanophenyl)pyridine-2-carboxylic acid | 6-Amino-3-(3-cyanophenyl)picolinic acid | AKOS015893239 | MFCD18085742 | 1258632-39-1 | 6-Amino-3-(3-cyanoph

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

6-amino-3-(3-cyanophenyl)pyridine-2-carboxylic acid; | A889913 | BS-19978 | DTXSID00692424 | 6-amino-3-(3-cyanophenyl)pyridine-2-carboxylic acid | 6-Amino-3-(3-cyanophenyl)picolinic acid | AKOS015893239 | MFCD18085742 | 1258632-39-1 | 6-Amino-3-(3-cyanoph

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC(=C1)C2=C(N=C(C=C2)N)C(=O)O)C#N
• IUPAC Name: 6-amino-3-(3-cyanophenyl)pyridine-2-carboxylic acid
• InChIKey: JHMQDCMZDGDGPZ-UHFFFAOYSA-N
• INCHI: 1S/C13H9N3O2/c14-7-8-2-1-3-9(6-8)10-4-5-11(15)16-12(10)13(17)18/h1-6H,(H2,15,16)(H,17,18)
• Isómeros SMILES: C1=CC(=CC(=C1)C2=C(N=C(C=C2)N)C(=O)O)C#N
• PubChem CID: 53229150
• Peso molecular: 239.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Pyridinecarboxylic acids Benzonitriles Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Amino acids Nitriles Carboxylic acids Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzonitrile - Aminopyridine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Cyanide - Organooxygen compound - Organic oxide - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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: 239.230 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 239.069 Da
• Monoisotopic Mass: 239.069 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 362.000
• 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