N-Hydroxy-1-oxy-isonicotinamidine - ≥97% , CAS No.66168-50-1

CAS: 66168-50-1 Cat. No.: N1262020 Formula: C₆H₇N₃O₂ Peso molecolare: 153.13 Numero EC: 676-769-7 PubChem CID: 135911786

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

C1=C[N+](=CC=C1C(=NO)N)[O-]

IUPAC Name

N'-hydroxy-1-oxidopyridin-1-ium-4-carboximidamide

InChIKey

MBWVMSCELRFKRC-UHFFFAOYSA-N

INCHI

1S/C6H7N3O2/c7-6(8-10)5-1-3-9(11)4-2-5/h1-4,10H,(H2,7,8)

Isomeri SMILES

C1=C[N+](=CC=C1/C(=N/O)/N)[O-]

PubChem CID

135911786

Peso molecolare

153.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Hydroxypyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Hydroxypyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxypyridines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Amidines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxypyridine - Heteroaromatic compound - Azacycle - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hydroxypyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a hydroxyl 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

Proprietà chimiche e fisiche

• Peso molecolare: 153.140 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.054 Da
• Monoisotopic Mass: 153.054 Da
• Topological Polar Surface Area: 84.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 152.000
• 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