2-Chloro-5-iodo-4-methylpyridine - ≥97% , CAS No.550347-54-1

CAS: 550347-54-1 Cat. No.: C589455 Molecular Weight: 253.47 EC Number: 867-310-3

GRADE & PURITY ≥97%

Synonyms

SY032483 | AMY16990 | FT-0658392 | A7978 | I11185 | SCHEMBL15508004 | AKOS015891498 | DTXSID20679732 | DS-18360 | EN300-250541 | GGKYISVMVRLEDY-UHFFFAOYSA-N | Pyridine, 2-chloro-5-iodo-4-methyl- | 2-chloro-5-iodo-4-methylpyridine | 2-chloro-5-iodo-4-methy

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

SY032483 | AMY16990 | FT-0658392 | A7978 | I11185 | SCHEMBL15508004 | AKOS015891498 | DTXSID20679732 | DS-18360 | EN300-250541 | GGKYISVMVRLEDY-UHFFFAOYSA-N | Pyridine, 2-chloro-5-iodo-4-methyl- | 2-chloro-5-iodo-4-methylpyridine | 2-chloro-5-iodo-4-methy

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=CC(=NC=C1I)Cl
• IUPAC Name: 2-chloro-5-iodo-4-methylpyridine
• InChIKey: GGKYISVMVRLEDY-UHFFFAOYSA-N
• INCHI: 1S/C6H5ClIN/c1-4-2-6(7)9-3-5(4)8/h2-3H,1H3
• Isomeric SMILES: CC1=CC(=NC=C1I)Cl
• Molecular Weight: 253.47
• Reaxy-Rn: 9386082
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9386082&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: Polyhalopyridines
• Alternative Parents: Methylpyridines 2-halopyridines Aryl iodides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Methylpyridine - 2-halopyridine - Aryl iodide - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 253.470 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 252.916 Da
• Monoisotopic Mass: 252.916 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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