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2-Methoxy-6-(4-(trifluoromethyl)phenyl)pyridine - 95%, high purity , CAS No.1202026-99-0
Discover 2-Methoxy-6-(4-(trifluoromethyl)phenyl)pyridine by Aladdin Scientific in 95% for only $2,456.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-Methoxy-6-(4-(trifluoromethyl)phenyl)pyridine | 1202026-99-0 | 2-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine | 4-(6-Methoxypyridin-2-yl)benzotrifluoride | DTXSID40716557 | QLUISBKTHWCQPO-UHFFFAOYSA-N | MFCD18421599 | AKOS015892206 | BS-25676 | CS-0208836 | A892303
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Phenylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyridines
Alternative Parents
Trifluoromethylbenzenes Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyridine - Trifluoromethylbenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Ether - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN 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-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine
INCHI
InChI=1S/C13H10F3NO/c1-18-12-4-2-3-11(17-12)9-5-7-10(8-6-9)13(14,15)16/h2-8H,1H3
InChIKey
QLUISBKTHWCQPO-UHFFFAOYSA-N
Smiles
COC1=CC=CC(=N1)C2=CC=C(C=C2)C(F)(F)F
Isomeric SMILES
COC1=CC=CC(=N1)C2=CC=C(C=C2)C(F)(F)F
Molecular Weight
253.2
Reaxy-Rn
19982262
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19982262&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
253.220 g/mol
XLogP3
3.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
253.071 Da
Monoisotopic Mass
253.071 Da
Topological Polar Surface Area
22.100 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
261.000
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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