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5-(Methylsulfonyl)pyridine-3-boronic acid pinacol ester , CAS No.1206641-26-0
Discover 5-(Methylsulfonyl)pyridine-3-boronic acid pinacol ester by Aladdin Scientific in for only $266.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1206641-26-0 | 3-(methylsulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine | 5-(Methylsulfonyl)pyridine-3-boronic acid pinacol ester | 3-methylsulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine | 5-(methylsulphonyl)pyridine-3-boronic
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridines and derivatives
Alternative Parents
Sulfones Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridine - Boronic acid ester - 1,3,2-dioxaborolane - Sulfone - Heteroaromatic compound - Sulfonyl - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
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
3-methylsulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
INCHI
InChI=1S/C12H18BNO4S/c1-11(2)12(3,4)18-13(17-11)9-6-10(8-14-7-9)19(5,15)16/h6-8H,1-5H3
InChIKey
BFWBUXKEBXAKDE-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)S(=O)(=O)C
Isomeric SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)S(=O)(=O)C
Molecular Weight
283.15
Reaxy-Rn
20692128
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20692128&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
283.160 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
283.105 Da
Monoisotopic Mass
283.105 Da
Topological Polar Surface Area
73.900 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
427.000
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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