GRADE & PURITY ≥99.5 atom% D, contains 0.05 % (v/v) TMS

Synonyms

Pentadeuteropyridine | DTXSID101020707 | CHEBI:193046 | Pyridine-2,3,4,5,6-d5 | HY-Y1688 | AKOS024255614 | C5D5N | Pyridine-2,3,4,5,6-d5; Pyridine-d5 (6CI,7CI,8CI,9CI); Pentadeuteropyridine; Perdeuteriopyridine | Q13358991 | STL445665 | Pyridine-d5, '100%

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Pentadeuteropyridine | DTXSID101020707 | CHEBI:193046 | Pyridine-2, 3, 4, 5, 6-d5 | HY-Y1688 | AKOS024255614 | C5D5N | Pyridine-2, 3, 4, 5, 6-d5; Pyridine-d5 (6CI, 7CI, 8CI, 9CI); Pentadeuteropyridine; Perdeuteriopyridine | Q13358991 | STL445665 | Pyridine-d5, '100%

Specifications & Purity

≥99.5 atom% D, contains 0.05 % (v/v) TMS

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99.5 atom% D

Names and Identifiers

• Canonical Smiles: C1=CC=NC=C1
• IUPAC Name: 2,3,4,5,6-pentadeuteriopyridine
• InChIKey: JUJWROOIHBZHMG-RALIUCGRSA-N
• INCHI: 1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i1D,2D,3D,4D,5D
• Isomeric SMILES: [2H]C1=C(C(=NC(=C1[2H])[2H])[2H])[2H]
• WGK Germany: 2
• Alternate CAS: 110-86-1（unlabled）
• Molecular Weight: 84.13
• Beilstein: 114377
• Reaxy-Rn: 103233
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103233&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

Chemical and Physical Properties

• Solubility: Soluble in water, alcohol, ether, acetone, and benzene.
• Sensitivity: Hygroscopic
• Refractive Index: 1.506
• Flash Point(°F): 62.6 °F
• Flash Point(°C): 17 °C
• Boil Point(°C): 114.4°C
• Melt Point(°C): -41°C
• Molecular Weight: 84.130 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 84.0736 Da
• Monoisotopic Mass: 84.0736 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 30.900
• Isotope Atom Count: 5
• 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

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2. Zechang Wei, Chenyang Cai, Yangze Huang, Pei Wang, Jianyue Song, Leixin Deng, Yu Fu.  (2020)  Strong biodegradable cellulose materials with improved crystallinity via hydrogen bonding tailoring strategy for UV blocking and antioxidant activity.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:32673719] [10.1016/j.ijbiomac.2020.07.100]

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5. Jianfa Wu, Ying Cui, Chang Liu, Weixing Ding, Shen Ren, Jing Zhang, Lulu Wang.  (2024)  Antioxidant activity of spirostanol saponins from Allii Macrostemonis Bulbus and their contents in different origins and processed products.  Food Chemistry-X,      [PMID:38304049] [10.1016/j.fochx.2024.101144]

6. Yixin Feng, Kaifu Jiang, Junqi Lv, Shuai Yuan, Xiran Lin, Zhiwei Chang, Ming Li, Chenjie Zhu.  (2025)  Design of a versatile lignin-based synergistic anti-aging reagent for natural rubber composites.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2025.111170]

7. Xiaoyu Xie, Xiuqiong Zhang, Tiantian Chen, Di Yu, Ming Ma, Xin Lu, Guowang Xu.  (2024)  High-coverage identification of hydroxyl compounds based on pyridine derivatization-assisted liquid chromatography mass spectrometry.  ANALYTICA CHIMICA ACTA,      [PMID:39182991] [10.1016/j.aca.2024.343065]

8. Weiyu Xia, Lupeng Shao, Chao Wang, Yu Liu, Xianhai Zeng, Feng Xu.  (2025)  Cascade fractionation of poplar into xylose, glucan oligomers and less-condensed lignin via synergistic formic acid–LiBr molten salt hydrate pretreatment.  GREEN CHEMISTRY,      [PMID:] [10.1039/D4GC05494F]

9. Jin Peng, Haixu Wang, Shusheng Chen, Weifeng Liu, Xueqing Qiu.  (2025)  Mechanically Robust, Reprocessable, and Light-Controlled Healable Solvent-Free Lignin-Containing Polyurethane Elastomers Based on Dynamic Phenol-Carbamate Network.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.4c02258]

10. Junxian Xie, Jiahui Xie, Junjun Chen, Shiyun Zhu, Jun Xu, Haitao Yang.  (2025)  Extraction of light-colored lignin nanoparticles from Radiata pine using ternary deep eutectic solvents.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.136499]

11. Bo Chen, Jina Wu, Junmei Xia, Yangde Ma, Ling Yuan, Huilan Yu, Shilei Liu.  (2026)  A successful strategy of pyridine derivatization for sensitive LC − ESI − MS detection of pinacolyl alcohol, a forensic marker for soman.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2026.117011]

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