2-Bromo-5-iodo-3-methylpyridine - ≥96%(GC) , CAS No.65550-78-9

CAS: 65550-78-9 Cat. No.: B151864 Molecular Weight: 297.92 EC Number: 678-919-7

GRADE & PURITY ≥96%(GC)

Synonyms

J-508385 | AKOS015891658 | MFCD09037466 | SCHEMBL1929811 | B4312 | Pyridine, 2-bromo-5-iodo-3-methyl- | DTXSID40435791 | SY041758 | WJPSANINUBHCFE-UHFFFAOYSA-N | 2-Bromo-5-iodo-3-methylpyridine | 2-bromo-5-iodo-3-methyl-pyridine | 2-Bromo-5-iodo-3-picolin

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

J-508385 | AKOS015891658 | MFCD09037466 | SCHEMBL1929811 | B4312 | Pyridine, 2-bromo-5-iodo-3-methyl- | DTXSID40435791 | SY041758 | WJPSANINUBHCFE-UHFFFAOYSA-N | 2-Bromo-5-iodo-3-methylpyridine | 2-bromo-5-iodo-3-methyl-pyridine | 2-Bromo-5-iodo-3-picolin

Specifications & Purity

≥96%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥96%(GC)

Names and Identifiers

• Pubchem Sid: 488196539
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196539
• Canonical Smiles: CC1=CC(=CN=C1Br)I
• IUPAC Name: 2-bromo-5-iodo-3-methylpyridine
• InChIKey: WJPSANINUBHCFE-UHFFFAOYSA-N
• INCHI: 1S/C6H5BrIN/c1-4-2-5(8)3-9-6(4)7/h2-3H,1H3
• Isomeric SMILES: CC1=CC(=CN=C1Br)I
• Molecular Weight: 297.92
• Reaxy-Rn: 1635743
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1635743&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 bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Methylpyridine - 2-halopyridine - Aryl iodide - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organoiodide - Organobromide - 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

• Solubility: Soluble in Methanol
• Melt Point(°C): 46 °C
• Molecular Weight: 297.920 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 296.865 Da
• Monoisotopic Mass: 296.865 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