1,2-Di(4-pyridyl)ethylene - ≥98% , CAS No.13362-78-2

CAS: 13362-78-2 Cat. No.: D106372 Molecular Weight: 182.22 Beilstein Registry Number: 3865 EC Number: 236-432-3

GRADE & PURITY ≥98%

Synonyms

4,4'-Vinylenedipyridine | 4,4-vinylenedipyridine | GC10195 | A806655 | Pyridine,4,4'-(1,2-ethenediyl)bis- | DTXSID201014763 | 4-[(E)-2-pyridin-4-ylvinyl]pyridine | IDI1_030070 | Pyridine, 4-(2-(pyridyl-4)ethenyl)-, trans- | AKOS025149311 | WLN: T6NJ D1U1-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4, 4'-Vinylenedipyridine | 4, 4-vinylenedipyridine | GC10195 | A806655 | Pyridine, 4, 4'-(1, 2-ethenediyl)bis- | DTXSID201014763 | 4-[(E)-2-pyridin-4-ylvinyl]pyridine | IDI1_030070 | Pyridine, 4-(2-(pyridyl-4)ethenyl)-, trans- | AKOS025149311 | WLN: T6NJ D1U1-

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CN=CC=C1C=CC2=CC=NC=C2
• IUPAC Name: 4-[(E)-2-pyridin-4-ylethenyl]pyridine
• InChIKey: MGFJDEHFNMWYBD-OWOJBTEDSA-N
• INCHI: 1S/C12H10N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H/b2-1+
• Isomeric SMILES: C1=CN=CC=C1/C=C/C2=CC=NC=C2
• WGK Germany: 3
• Molecular Weight: 182.22
• Beilstein: 3865
• Reaxy-Rn: 9189478
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9189478&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Associated Targets(Human)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

Discover Target: LCK

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 151°C
• Molecular Weight: 182.220 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 182.084 Da
• Monoisotopic Mass: 182.084 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 157.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Xiuping Yin, Xinxing Li, Xuyi Li, Malgorzata Biczysko, Shourong Zhu, Jiaqiang Xu, Yue-Ling Bai.  (2023)  Isomerization-induced fluorescence enhancement of two new viologen derivatives: mechanism insight and DFT calculations.  Chemical Science,  14  (25): (7016-7025).  [PMID:37389262] [10.1039/D3SC02051G]

2. Han Zhang, Xi-Hui Diao, Chao Chen, Yaseen Muhammad, Yuan-Yuan Gao, Xiao-Jing Dong, Hao Wang, Wei Li, Chuan-Song Qi.  (2022)  Concentration-controlled Zn(II) coordination polymers constructed from mixed ligands for Fe3+ sensing.  INORGANIC CHEMISTRY COMMUNICATIONS,      [PMID:] [10.1016/j.inoche.2022.109974]

3. Zhihui Wu, Da-Wen Sun, Hongbin Pu, Qingyi Wei, Xuanran Lin.  (2021)  Ti3C2Tx MXenes loaded with Au nanoparticle dimers as a surface-enhanced Raman scattering aptasensor for AFB1 detection.  FOOD CHEMISTRY,      [PMID:34818736] [10.1016/j.foodchem.2021.131293]

4. Mengwei Wang, Yiming Ma, Peng Shi, Shichao Du, Songgu Wu, Junbo Gong.  (2020)  Similar but Not the Same: Difference in the Ability to Form Cocrystals between Nimesulide and the Pyridine Analogues.  CRYSTAL GROWTH & DESIGN,      [PMID:] [10.1021/acs.cgd.0c01132]

5. Xiao-Qin Wu, Pei-Qi Feng, Zhiqiang Guo, Xuehong Wei.  (2020)  Water-Stable 1D Double-Chain Cu Metal–Organic Framework-based Electrochemical Biosensor for Detecting l-Tyrosine.  LANGMUIR,      [PMID:33180511] [10.1021/acs.langmuir.0c02799]

6. Ying Li, Bo Jiang, Yudong Huang.  (2020)  Constructing nanosheet-like MOF on the carbon fiber surfaces for improving the interfacial properties of carbo fiber /epoxy composites.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2020.145870]

7. Xia Long, Wangping Xu, Tingting Duan, Liyan Lin, Yandong Guo, Xiaohong Yan, Juexian Cao, Yong Hu.  (2024)  Tuning charge transport by manipulating concentration dependent single-molecule absorption configurations.  iScience,      [PMID:38439976] [10.1016/j.isci.2024.109292]

8. Hafiz Muhammad Zohaib, Madiha Saqlain, Maroof Ahmad Khan, Sara Masood, Ijaz Gul, Muhammad Irfan, Hui Li.  (2024)  Exploring enantioselective recognition of dTMP-Co-bpe coordination polymer for natural amino acids using molecular simulations and circular dichroism.  DALTON TRANSACTIONS,      [PMID:39034765] [10.1039/D4DT01245C]