2-amino-6-chloro-pyridine-4-carbonitrile - ≥97% , CAS No.52413-76-0

CAS: 52413-76-0 Cat. No.: A677541 Molecular Weight: 153.57 EC Number: 112-551-5 PubChem CID: 20311683

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=C(C=C(N=C1N)Cl)C#N
• IUPAC Name: 2-amino-6-chloropyridine-4-carbonitrile
• InChIKey: VHIXEMVONDUEDP-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClN3/c7-5-1-4(3-8)2-6(9)10-5/h1-2H,(H2,9,10)
• Isomeric SMILES: C1=C(C=C(N=C1N)Cl)C#N
• PubChem CID: 20311683
• Molecular Weight: 153.57

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: 2-halopyridines Imidolactams Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Amine - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.
• 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

• Molecular Weight: 153.570 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 153.009 Da
• Monoisotopic Mass: 153.009 Da
• Topological Polar Surface Area: 62.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 162.000
• 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