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5-(Trifluoromethyl)-2,3-Pyridinediamine - 98%, high purity , CAS No.107867-51-6
Basic Description
Synonyms
5-(trifluoromethyl)pyridine-2,3-diamine | 107867-51-6 | 2,3-DIAMINO-5-TRIFLUOROMETHYLPYRIDINE | 2,3-Pyridinediamine, 5-(trifluoromethyl)- | MFCD10696252 | 2,3-Diamino-5-(trifluoromethyl)pyridine | SCHEMBL1716472 | DTXSID00436769 | AMY12171 | GEO-02849 | 5-trifluoromethylpyri
Specifications & Purity
≥98%
Shipped In
Normal
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 Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyridine - Imidolactam - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - 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
Pubchem Sid
504765330
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504765330
IUPAC Name
5-(trifluoromethyl)pyridine-2,3-diamine
INCHI
InChI=1S/C6H6F3N3/c7-6(8,9)3-1-4(10)5(11)12-2-3/h1-2H,10H2,(H2,11,12)
InChIKey
RNSZENVDZWTPPG-UHFFFAOYSA-N
Smiles
C1=C(C=NC(=C1N)N)C(F)(F)F
Isomeric SMILES
C1=C(C=NC(=C1N)N)C(F)(F)F
PubChem CID
10214425
Molecular Weight
177.13
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
177.130 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
0
Exact Mass
177.051 Da
Monoisotopic Mass
177.051 Da
Topological Polar Surface Area
64.900 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
159.000
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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K1827035