1,1'-Dimethyl-2,2'-bipyridinium diiodide - ≥98% , CAS No.23484-62-0

CAS: 23484-62-0 Cat. No.: B303149 Molecular Weight: 440.06 PubChem CID: 155629

GRADE & PURITY ≥98%

Synonyms

DTXSID90946165 | E81702 | AS-77616 | CCRIS 3338 | AKOS005266803 | 1,1'-Dimethyl-[2,2'-bipyridine]-1,1'-diium iodide | 1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;diiodide | 1,1'-Dimethyl-2,2'-bipyridin-1-ium diiodide | 2,2'-Bipyridinium, 1,1'-dim

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

DTXSID90946165 | E81702 | AS-77616 | CCRIS 3338 | AKOS005266803 | 1, 1'-Dimethyl-[2, 2'-bipyridine]-1, 1'-diium iodide | 1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;diiodide | 1, 1'-Dimethyl-2, 2'-bipyridin-1-ium diiodide | 2, 2'-Bipyridinium, 1, 1'-dim

Specifications & Purity

≥98%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488188267
• Canonical Smiles: C[N+]1=CC=CC=C1C2=CC=CC=[N+]2C.[I-].[I-]
• IUPAC Name: 1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;diiodide
• InChIKey: QFOJROLPJPRXTK-UHFFFAOYSA-L
• INCHI: 1S/C12H14N2.2HI/c1-13-9-5-3-7-11(13)12-8-4-6-10-14(12)2;;/h3-10H,1-2H3;2*1H/q+2;;/p-2
• Isomeric SMILES: C[N+]1=CC=CC=C1C2=CC=CC=[N+]2C.[I-].[I-]
• PubChem CID: 155629
• Molecular Weight: 440.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: N-methylpyridinium compounds Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic iodide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - N-methylpyridinium - Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• 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

• Molecular Weight: 440.060 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 439.925 Da
• Monoisotopic Mass: 439.925 Da
• Topological Polar Surface Area: 7.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 161.000
• 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: 3

XLogP3