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2-Chloro-4-iodo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine , CAS No.1241950-75-3
Discover 2-Chloro-4-iodo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine by Aladdin Scientific in for only $2,291.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-Chloro-4-iodo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine | 1241950-75-3 | DTXSID40673858 | MFCD11857676 | AKOS015851335 | CS-0174056 | FT-0717664 | 1-(2-FURYLMETHYL)-5-OXOPYRROLIDINE-3-CARBOXYLICACID | 2-chloro-4-iodo-3-(4,4,5,5-tetramethyl-[1,3,2]dioxabor
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
2-halopyridines Aryl chlorides Aryl iodides Boronic acid esters Dioxaborolanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organic metalloid salts Organochlorides Organoiodides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organooxygen compounds Organoboron compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Aryl iodide - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid derivative - Organic metalloid salt - Azacycle - Oxacycle - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organoboron compound - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic 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
2-chloro-4-iodo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
INCHI
InChI=1S/C11H14BClINO2/c1-10(2)11(3,4)17-12(16-10)8-7(14)5-6-15-9(8)13/h5-6H,1-4H3
InChIKey
YREHTQZLXDCHCP-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CN=C2Cl)I
Isomeric SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CN=C2Cl)I
WGK Germany
3
PubChem CID
46736771
Molecular Weight
365.4
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
365.400 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
364.985 Da
Monoisotopic Mass
364.985 Da
Topological Polar Surface Area
31.400 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
287.000
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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