2-(1H-Imidazol-2-yl)pyridine - ≥97% , CAS No.18653-75-3

CAS: 18653-75-3 Cat. No.: I132038 Peso molecular: 145.16 Número EC: 695-587-9

GRADE & PURITY ≥97%

Synonyms

A813054 | 2-(2 inverted exclamation marka-Pyridyl)imidazole pound>>2-(2-Pyridyl)imidazole pound>> 2-(Imidazol-2-yl)pyridine pound>>2-(Pyridin-2-yl)imidazole pound>> Pyridine,2-imidazol-2-yl- (8Cl) | 2-(2-Imidazolyl)pyridine | F1905-7074 | SCHEMBL117383 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

A813054 | 2-(2 inverted exclamation marka-Pyridyl)imidazole pound>>2-(2-Pyridyl)imidazole pound>> 2-(Imidazol-2-yl)pyridine pound>>2-(Pyridin-2-yl)imidazole pound>> Pyridine, 2-imidazol-2-yl- (8Cl) | 2-(2-Imidazolyl)pyridine | F1905-7074 | SCHEMBL117383 |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488190502
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190502
• Sonrisas canónicas: C1=CC=NC(=C1)C2=NC=CN2
• IUPAC Name: 2-(1H-imidazol-2-yl)pyridine
• InChIKey: SZXUTTGMFUSMCE-UHFFFAOYSA-N
• INCHI: 1S/C8H7N3/c1-2-4-9-7(3-1)8-10-5-6-11-8/h1-6H,(H,10,11)
• Isómeros SMILES: C1=CC=NC(=C1)C2=NC=CN2
• WGK Alemania: 3
• Peso molecular: 145.16
• Reaxy-Rn: 607129
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607129&ln=

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: Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen 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

• Sensibilidad: Air sensitive
• Punto de fusión (°C): 135-140 °C
• Peso molecular: 145.160 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 145.064 Da
• Monoisotopic Mass: 145.064 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 127.000
• 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