3-Pyridinecarboxamide Oxime - ≥98%(HPLC) , CAS No.1594-58-7

CAS: 1594-58-7 Cat. No.: P131772 Peso molecular: 137.14 Número EC: 625-116-4 PubChem CID: 5372334

GRADE & PURITY ≥98%(HPLC)

Synonyms

N'-Hydroxy-3-pyridinecarboximidamide | MFCD00002778 | DTXSID60936093 | J-502659 | EN300-26253 | N'-hydroxypyridine-3-carboximidamide, AldrichCPR | (Z)-N'-hydroxynicotinamidine | 2-pyridinecarboxamide oxime | BBL005295 | STK346740 | AC-5537 | InChI=1/C6H7N

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Description：
3-Pyridylamidoxime (pyridine-3-amidoxime, Py-3-AO) can be synthesized from the reaction between hydroxylamine hydrochloride, sodium hydroxide and 3-cyanopyridine (dissolved in ethanol).

Product Application：

3-Pyridylamidoxime may be used in the synthesis of 3-(3-pyridyl)-5-trichloromethyl-1,2,4-oxadiazole.

Specifications

Sinónimos

N'-Hydroxy-3-pyridinecarboximidamide | MFCD00002778 | DTXSID60936093 | J-502659 | EN300-26253 | N'-hydroxypyridine-3-carboximidamide, AldrichCPR | (Z)-N'-hydroxynicotinamidine | 2-pyridinecarboxamide oxime | BBL005295 | STK346740 | AC-5537 | InChI=1/C6H7N

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488195493
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195493
• Sonrisas canónicas: C1=CC(=CN=C1)C(=NO)N
• IUPAC Name: N'-hydroxypyridine-3-carboximidamide
• InChIKey: AQBMQGDKWIPBRF-UHFFFAOYSA-N
• INCHI: 1S/C6H7N3O/c7-6(9-10)5-2-1-3-8-4-5/h1-4,10H,(H2,7,9)
• Isómeros SMILES: C1=CC(=CN=C1)/C(=N/O)/N
• WGK Alemania: 3
• PubChem CID: 5372334
• Peso molecular: 137.14
• Reaxy-Rn: 3717

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Amidoximes Azacyclic compounds Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Amidoxime - Heteroaromatic compound - Azacycle - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 130-135°
• Peso molecular: 137.140 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 137.059 Da
• Monoisotopic Mass: 137.059 Da
• Topological Polar Surface Area: 71.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 135.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1