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5-Fluoro-6-iodo-1-(triisopropylsilyl)-4-(trimethylsilyl)-1h-pyrrolo[2,3-b]pyridine - 95%, high purity , CAS No.1261365-70-1
Basic Description
Synonyms
5-Fluoro-6-iodo-1-(triisopropylsilyl)-4-(trimethylsilyl)-1H-pyrrolo[2,3-b]pyridine | 1261365-70-1 | (5-fluoro-6-iodo-4-trimethylsilylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane | DTXSID601121497 | MFCD18374144 | AKOS015853067 | CS-0088294 | 1H-Pyrrolo[2,3-b]pyri
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Halopyridines
Intermediate Tree Nodes
Not available
Direct Parent
Polyhalopyridines
Alternative Parents
Methylpyridines 2-halopyridines Substituted pyrroles Trialkylheterosilanes Pyrrolines Heteroaromatic compounds Trialkylsilanes Vinyl iodides Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Iodoalkenes Fluoroalkenes Azacyclic compounds Amidines Organopnictogen compounds Organoiodides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Polyhalopyridine - 2-halopyridine - Methylpyridine - Substituted pyrrole - Trialkylheterosilane - Heteroaromatic compound - Pyrroline - Trialkylsilane - Organoheterosilane - Azacycle - Organic metalloid salt - Iodoalkene - Fluoroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl iodide - Vinyl halide - Vinyl fluoride - Amidine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organosilicon compound - Alkylsilane - Organonitrogen compound - Organoiodide - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
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-fluoro-6-iodo-4-trimethylsilylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
INCHI
InChI=1S/C19H32FIN2Si2/c1-12(2)25(13(3)4,14(5)6)23-11-10-15-17(24(7,8)9)16(20)18(21)22-19(15)23/h10-14H,1-9H3
InChIKey
YQCMDEMPGXCYPX-UHFFFAOYSA-N
Smiles
CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C(C(=C(N=C21)I)F)[Si](C)(C)C
Isomeric SMILES
CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C(C(=C(N=C21)I)F)[Si](C)(C)C
PubChem CID
50986523
Molecular Weight
490.5
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
490.500 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Exact Mass
490.113 Da
Monoisotopic Mass
490.113 Da
Topological Polar Surface Area
17.800 Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
445.000
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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