Name: 4-Pyridineacetonitrile - ≥97% , CAS No.13121-99-8
Brand: Aladdin Scientific
SKU: D302357
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	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
Descripción	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
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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Fecha	Articulo
H2127249	Certificate of Analysis	Jun 09, 2025	D302357
H2127250	Certificate of Analysis	Jun 09, 2025	D302357
H2127272	Certificate of Analysis	Jun 09, 2025	D302357

Propiedades químicas y físicas

Solubilidad	Slightly soluble in water.
Peso molecular	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 Å²
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

Citations of This Product

Referencias

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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Reseñas

Pubchem Sid	504762849
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762849
Sonrisas canónicas	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
Isómeros SMILES	C1=CN=CC=C1CC#N
Peso molecular	118.139
Reaxy-Rn	471559
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471559&ln=

4-Pyridineacetonitrile - ≥97% , CAS No.13121-99-8

Specifications