6-Iodo-[1,2,4]triazolo[1,5-a]pyridine - ≥97% , CAS No.614750-84-4

CAS: 614750-84-4 Cat. No.: I139087 Molecular Weight: 245.02 EC Number: 689-927-5

GRADE & PURITY ≥97%

Synonyms

6-Iodo-[1,2,4]triazolo[1,5-a]pyridine | 6-iodo[1,2,4]triazolo[1,5-a]pyridine | J-518801 | CDWWPXNAXCMGFV-UHFFFAOYSA-N | 6-Iodo-1,2,4-triazolo[1,5-a]pyridine | 6-iodo-[1,2,4]triazolo[1,5-alpha]pyridine | FT-0659728 | MFCD06797552 | [1,2,4]Triazolo[1,5-a]py

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

6-Iodo-[1, 2, 4]triazolo[1, 5-a]pyridine | 6-iodo[1, 2, 4]triazolo[1, 5-a]pyridine | J-518801 | CDWWPXNAXCMGFV-UHFFFAOYSA-N | 6-Iodo-1, 2, 4-triazolo[1, 5-a]pyridine | 6-iodo-[1, 2, 4]triazolo[1, 5-alpha]pyridine | FT-0659728 | MFCD06797552 | [1, 2, 4]Triazolo[1, 5-a]py

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light

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: C1=CC2=NC=NN2C=C1I
• IUPAC Name: 6-iodo-[1,2,4]triazolo[1,5-a]pyridine
• InChIKey: CDWWPXNAXCMGFV-UHFFFAOYSA-N
• INCHI: 1S/C6H4IN3/c7-5-1-2-6-8-4-9-10(6)3-5/h1-4H
• Isomeric SMILES: C1=CC2=NC=NN2C=C1I
• Molecular Weight: 245.02
• Reaxy-Rn: 14288033
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14288033&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazolopyridines
• Alternative Parents: Pyridines and derivatives Aryl iodides Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triazolopyridine - Pyridine - Aryl iodide - Aryl halide - Heteroaromatic compound - 1,2,4-triazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triazolopyridines. These are compounds containing a triazole ring fused to a pyridine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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: 245.020 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 244.945 Da
• Monoisotopic Mass: 244.945 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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