2-Iodopyridine - ≥97%, stabilized with copper , CAS No.5029-67-4

CAS: 5029-67-4 Cat. No.: I111393 Molecular Weight: 205.00 EC Number: 610-520-5

GRADE & PURITY ≥97%, stabilized with copper

Synonyms

CCZWSTFVHJPCEM-UHFFFAOYSA-N | EN300-88338 | NoName_4580 | SY013861 | 2-pyridyl iodide | DTXSID60903821 | STL557827 | 2-Iodopyridine, 98% | AC-5807 | AM81300 | Pyridine, iodo- | FT-0645304 | J-509734 | I0533 | A7464 | BP-10744 | AKOS015853921 | MFCD0046492

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

CCZWSTFVHJPCEM-UHFFFAOYSA-N | EN300-88338 | NoName_4580 | SY013861 | 2-pyridyl iodide | DTXSID60903821 | STL557827 | 2-Iodopyridine, 98% | AC-5807 | AM81300 | Pyridine, iodo- | FT-0645304 | J-509734 | I0533 | A7464 | BP-10744 | AKOS015853921 | MFCD0046492

Specifications & Purity

≥97%, stabilized with copper

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504757900
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757900
• Canonical Smiles: C1=CC=NC(=C1)I
• IUPAC Name: 2-iodopyridine
• InChIKey: CCZWSTFVHJPCEM-UHFFFAOYSA-N
• INCHI: 1S/C5H4IN/c6-5-3-1-2-4-7-5/h1-4H
• Isomeric SMILES: C1=CC=NC(=C1)I
• WGK Germany: 3
• Molecular Weight: 205.00
• Reaxy-Rn: 105790
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105790&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Aryl iodides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl iodide - Aryl halide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
• 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

• Solubility: Slightly soluble in water.
• Sensitivity: Air sensitive; Light sensitive
• Refractive Index: 1.632
• Flash Point(°C): 84 °C
• Boil Point(°C): 52 °C
• Molecular Weight: 205.000 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 204.939 Da
• Monoisotopic Mass: 204.939 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 56.000
• 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

References

1. Ying Chen, Lei Tian, Wen Liu, Yi Mei, Qiu-Ju Xing, Yi Mu, Ling-Ling Zheng, Qian Fu, Jian-Ping Zou, Daishe Wu.  (2024)  Controllable Pyridine N-Oxidation–Nucleophilic Dechlorination Process for Enhanced Dechlorination of Chloropyridines: The Cooperation of HCO4– and HO2–.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:38330552] [10.1021/acs.est.3c09878]