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2-Chloro-6-(5-trifluoromethylpyrazol-1-yl)pyridine - 98%, high purity , CAS No.1150164-45-6
Discover 2-Chloro-6-(5-trifluoromethylpyrazol-1-yl)pyridine by Aladdin Scientific in 98% for only $1,498.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1150164-45-6 | 2-Chloro-6-(5-(trifluoromethyl)-1H-pyrazol-1-yl)pyridine | 2-CHLORO-6-(5-TRIFLUOROMETHYLPYRAZOL-1-YL)PYRIDINE | 2-chloro-6-[5-(trifluoromethyl)pyrazol-1-yl]pyridine | 2-Chloro-6-[5-(trifluoromethyl)-1H-pyrazol-1-yl]pyridine | SCHEMBL4875367 | DTXSID306
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyrazolylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazolylpyridines
Alternative Parents
2-halopyridines Aryl chlorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-pyrazolylpyridine - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.
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
2-chloro-6-[5-(trifluoromethyl)pyrazol-1-yl]pyridine
INCHI
InChI=1S/C9H5ClF3N3/c10-7-2-1-3-8(15-7)16-6(4-5-14-16)9(11,12)13/h1-5H
InChIKey
OCZTUNUDTAJGPS-UHFFFAOYSA-N
Smiles
C1=CC(=NC(=C1)Cl)N2C(=CC=N2)C(F)(F)F
Isomeric SMILES
C1=CC(=NC(=C1)Cl)N2C(=CC=N2)C(F)(F)F
Molecular Weight
247.6
Reaxy-Rn
34153250
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34153250&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
247.600 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
247.012 Da
Monoisotopic Mass
247.012 Da
Topological Polar Surface Area
30.700 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
249.000
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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