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

CAS: 1594-58-7 Cat. No.: P131772 Molecular Weight: 137.14 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488195493
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195493
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CC(=CN=C1)/C(=N/O)/N
• WGK Germany: 3
• PubChem CID: 5372334
• Molecular Weight: 137.14
• Reaxy-Rn: 3717

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 130-135°
• Molecular Weight: 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