≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504762849 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762849 |
| Canonical Smiles | C1=CN=CC=C1CC#N |
| IUPAC Name | 2-pyridin-4-ylacetonitrile |
| InChIKey | BMVSAKPRNWZCPG-UHFFFAOYSA-N |
| INCHI | 1S/C7H6N2/c8-4-1-7-2-5-9-6-3-7/h2-3,5-6H,1H2 |
| Isomeric SMILES | C1=CN=CC=C1CC#N |
| Molecular Weight | 118.139 |
| Reaxy-Rn | 471559 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471559&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| 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 Nitriles Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - 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 |
| Solubility | Slightly soluble in water. |
|---|---|
| Molecular Weight | 118.140 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 118.053 Da |
| Monoisotopic Mass | 118.053 Da |
| Topological Polar Surface Area | 36.700 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 116.000 |
| 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 |
| 1. Yue Huang, Yang Liu, Chuan Dong, Qi Zan, Feng Feng, Ruibing Wang, Shaomin Shuang. (2025) A Dual-Channel Fluorescent Probe with Mitochondria-Immobilization: Detecting Polarity and Viscosity During Mitophagy. BIOSENSORS & BIOELECTRONICS, [PMID:39954518] [10.1016/j.bios.2025.117246] |
| 2. Lingchen Wang, Wenqiang Song, Fengxia Li, Shaomin Shuang, Shengmei Song, Yunfeng Yang, Yue Huang, Kun Wang. (2025) Mitochondria-immobilized fluorescent probes for viscosity and cellular imaging. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:40876348] [10.1016/j.saa.2025.126847] |
| 3. Wenhao Su, Zhouyu Jiang, Arshad Khan, Rabia Usman, Mingliang Wang. (2025) Charge-transfer cocrystal engineering of anthracene chalcone compound containing cyano group: DFT-guided modulation of solid-state optical properties. Computational and Theoretical Chemistry, [PMID:] [10.1016/j.comptc.2025.115465] |
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