5-Bromo-2-chloro-4-iodopyridine - ≥97% , CAS No.401892-47-5

CAS: 401892-47-5 Cat. No.: B184327 Molecular Weight: 318.3 EC Number: 857-780-8

GRADE & PURITY ≥97%

Synonyms

DTXSID60619051 | AKOS005073465 | SCHEMBL691595 | AB55676 | SY042514 | FT-0681218 | BRA89247 | MB-0802 | MFCD09972189 | 5-Bromo-2-chloro-4-iodopyridine | 5-bromo-2-chloro-4-Iodo-pyridine | TYBBZOZWSLKHMV-UHFFFAOYSA-N | EN300-254848 | P18613 | Pyridine, 5-b

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

DTXSID60619051 | AKOS005073465 | SCHEMBL691595 | AB55676 | SY042514 | FT-0681218 | BRA89247 | MB-0802 | MFCD09972189 | 5-Bromo-2-chloro-4-iodopyridine | 5-bromo-2-chloro-4-Iodo-pyridine | TYBBZOZWSLKHMV-UHFFFAOYSA-N | EN300-254848 | P18613 | Pyridine, 5-b

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

• Pubchem Sid: 504769057
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769057
• Canonical Smiles: C1=C(C(=CN=C1Cl)Br)I
• IUPAC Name: 5-bromo-2-chloro-4-iodopyridine
• InChIKey: TYBBZOZWSLKHMV-UHFFFAOYSA-N
• INCHI: 1S/C5H2BrClIN/c6-3-2-9-5(7)1-4(3)8/h1-2H
• Isomeric SMILES: C1=C(C(=CN=C1Cl)Br)I
• Molecular Weight: 318.3
• Reaxy-Rn: 9844848
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9844848&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: 2-halopyridines Aryl iodides Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl bromide - Aryl chloride - Aryl halide - Aryl iodide - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organoiodide - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen 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: 318.340 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 316.81 Da
• Monoisotopic Mass: 316.81 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• 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

References

1. Peng Zhang, Xianli Hu, Quan Liu, Wenzhi Wang, Jiaxuan Sun, Ruixiang Ma, Jiawei Mei, Xianzuo Zhang, Wanbo Zhu, Zheng Su, Chen Zhu.  (2025)  An enzymatic and metal-organic framework system to prevent biofilm infections.  Cell Reports Physical Science,      [PMID:40083904] [10.1016/j.xcrp.2025.102468]

2. Quan Zhang, Bang-Xian Yu, Jun Long, Xue-Wu Chen, Fang Huang, Wen-Qi Wu, Yong-Da Liu, Guo-Hua Zeng, Ling-Hong Huang, Xin-Yuan Sun.  (2025)  An Ultrasmall Self-Assembled Gallic-Acid-Based Natural Multifunctional Defense Networks for Therapeutic Application in Calcium Oxalate Nephropathies.  Small,      [PMID:39981771] [10.1002/smll.202500270]

3. Shang Chi, Yaping Li, Tingting Ye, Jiawei Kang, Zhihui Xiang, Xiaoqing Kuang, Chenggang Yi, Yiying Qi, Wei Wang.  (2025)  Energy reconversion of ultrasound on a piezoelectric hydrogel promotes ROS/CO generation and wound self-closure for infected chronic wound healing.  Matter,      [PMID:] [10.1016/j.matt.2025.101989]

4. Chang Gao, Junlong Haox, Wenrong Che, Baohui Li, Xianhai Zeng, Yirou Chen, Miao Zuo.  (2025)  Insight into the mechanism and effect of the Gleditsia sinensis peel-derived biochar/FexOy composites as an effective and recyclable absorbent for wastewater.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2025.121217]

5. Ling Liao, Ting Sheng, Chengrong Wang, Bo Jin, Zhicheng Guo, Yang Zhao, Tian Zheng, Rufang Peng.  (2025)  Learning from plants: Introducing natural antioxidants to resist superoxide radicals in perovskite solar cells.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40022779] [10.1016/j.jcis.2025.02.176]

6. Chao Luo, Enpei Zhu, Shengxuan Zhao, Shixing Wang, Hongying Xia, Jing Li, Linqing Dai, Gengwei Zhang, Likang Fu, Yonggang Zuo, Libo Zhang.  (2025)  Ultrafast regeneration of spent activated carbon and sustainable application.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2025.115720]