3-Amino-2-bromo-6-(trifluoromethyl)pyridine - ≥98% , CAS No.117519-16-1

CAS: 117519-16-1 Cat. No.: A179836 Molecular Weight: 241 EC Number: 833-952-8

GRADE & PURITY ≥98%

Synonyms

EN300-138679 | 2-bromo-6-(trifluoromethyl)pyridin-3-amine;3-Amino-2-bromo-6-(trifluoromethyl)pyridine | SCHEMBL14630035 | 3-Pyridinamine, 2-bromo-6-(trifluoromethyl)- | AMY3144 | SY003433 | FT-0711872 | 3-Amino-2-bromo-6-(trifluoromethyl)pyridine | A80378

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

EN300-138679 | 2-bromo-6-(trifluoromethyl)pyridin-3-amine;3-Amino-2-bromo-6-(trifluoromethyl)pyridine | SCHEMBL14630035 | 3-Pyridinamine, 2-bromo-6-(trifluoromethyl)- | AMY3144 | SY003433 | FT-0711872 | 3-Amino-2-bromo-6-(trifluoromethyl)pyridine | A80378

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767605
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767605
• Canonical Smiles: C1=CC(=NC(=C1N)Br)C(F)(F)F
• IUPAC Name: 2-bromo-6-(trifluoromethyl)pyridin-3-amine
• InChIKey: NCOWBQRCCMJSKW-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrF3N2/c7-5-3(11)1-2-4(12-5)6(8,9)10/h1-2H,11H2
• Isomeric SMILES: C1=CC(=NC(=C1N)Br)C(F)(F)F
• Molecular Weight: 241
• Reaxy-Rn: 21793027
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21793027&ln=

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 Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridine - 2-halopyridine - Aryl bromide - Aryl halide - Heteroaromatic compound - Azacycle - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alkyl halide - 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: 241.010 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 239.951 Da
• Monoisotopic Mass: 239.951 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 161.000
• 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