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

CAS: 5029-67-4 Cat. No.: I111393 Formula: C₅H₄IN 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5029-67-4, the molecular formula is C5H4IN, and the molecular weight is 205.00 g/mol. InChIKey CCZWSTFVHJPCEM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.