(6-Chloro-4-methylpyridin-2-YL)methanamine , CAS No.1256806-98-0

CAS: 1256806-98-0 Cat. No.: C1269040 Molecular Weight: 156.61

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CC1=CC(=NC(=C1)Cl)CN
• IUPAC Name: (6-chloro-4-methylpyridin-2-yl)methanamine
• InChIKey: RHXMIQKZRKPKKA-UHFFFAOYSA-N
• INCHI: 1S/C7H9ClN2/c1-5-2-6(4-9)10-7(8)3-5/h2-3H,4,9H2,1H3
• Molecular Weight: 156.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass 2-pyridylmethylamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: 2-pyridylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-substituted-2-pyridinylmethylamines
• Alternative Parents: Methylpyridines Aralkylamines 2-halopyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 6-substituted-2-pyridinylmethylamine - 2-halopyridine - Methylpyridine - Aralkylamine - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Amine - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 6-substituted-2-pyridinylmethylamines. These are aromatic heterocyclic compounds contaning a pyridine ring which is substituted at the 2-position with a methylamine, and at the 6-position with any non-hydrogen atom.
• 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: 156.610 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 156.045 Da
• Monoisotopic Mass: 156.045 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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