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4,6-dichloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine - 97%, high purity , CAS No.1256801-93-0
Discover 4,6-dichloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine by Aladdin Scientific in 97% for only $12,841.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4,6-Dichloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine | 1256801-93-0 | MFCD18260535 | 1H-Pyrrolo[2,3-b]pyridine, 4,6-dichloro-3-(trifluoromethyl)- | SCHEMBL20588419 | DTXSID60856929 | TXPTXMVVDABNAN-UHFFFAOYSA-N | AMY35748 | AKOS022173989 | SB40916 | AS-53492 | SY226924 | C
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyridines
Alternative Parents
Polyhalopyridines 2-halopyridines Substituted pyrroles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyridine - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
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
4,6-dichloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
INCHI
InChI=1S/C8H3Cl2F3N2/c9-4-1-5(10)15-7-6(4)3(2-14-7)8(11,12)13/h1-2H,(H,14,15)
InChIKey
TXPTXMVVDABNAN-UHFFFAOYSA-N
Smiles
C1=C(C2=C(NC=C2C(F)(F)F)N=C1Cl)Cl
Isomeric SMILES
C1=C(C2=C(NC=C2C(F)(F)F)N=C1Cl)Cl
Molecular Weight
255.02
Reaxy-Rn
33966840
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33966840&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
255.020 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
253.963 Da
Monoisotopic Mass
253.963 Da
Topological Polar Surface Area
28.700 Ų
Heavy Atom Count
15
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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