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5-(Trifluoromethyl)-3-((trimethylsilyl)ethynyl)pyridin-2-amine - Reagent Grade, high purity , CAS No.1036027-52-7
Basic Description
Synonyms
5-Trifluoromethyl-3-((trimethylsilyl)ethynyl)pyridin-2-amine | AKOS015852646 | 5-(Trifluoromethyl)-3-[(trimethylsilyl)ethynyl]pyridin-2-amine | 1036027-52-7 | DTXSID40673934 | MFCD12026753 | 5-(TRIFLUOROMETHYL)-3-((TRIMETHYLSILYL)ETHYNYL)-PYRIDIN-2-AMINE
Specifications & Purity
Reagent grade
Legal Information
Product of Adesis
Grade
Reagent Grade
Taxonomic Classification
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
Imidolactams Heteroaromatic compounds Trialkylsilanes Organic metalloid salts Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyridine - Imidolactam - Heteroaromatic compound - Trialkylsilane - Azacycle - Organic metalloid salt - Alkyl fluoride - Hydrocarbon derivative - Organosilicon compound - Alkylsilane - Primary amine - Organonitrogen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - 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.
Names and Identifiers
IUPAC Name
5-(trifluoromethyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine
INCHI
InChI=1S/C11H13F3N2Si/c1-17(2,3)5-4-8-6-9(11(12,13)14)7-16-10(8)15/h6-7H,1-3H3,(H2,15,16)
InChIKey
KLSNMJYIWORYMD-UHFFFAOYSA-N
Smiles
C[Si](C)(C)C#CC1=C(N=CC(=C1)C(F)(F)F)N
Isomeric SMILES
C[Si](C)(C)C#CC1=C(N=CC(=C1)C(F)(F)F)N
PubChem CID
46736871
Molecular Weight
258.32
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
258.310 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
258.08 Da
Monoisotopic Mass
258.08 Da
Topological Polar Surface Area
38.900 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
334.000
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
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