6-(Methylsulfonyl)pyridine-3-boronic Acid Pinacol Ester - CAS 1052138-94-9
Catalog: |
BB001579 |
Product Name: |
6-(Methylsulfonyl)pyridine-3-boronic Acid Pinacol Ester |
CAS: |
1052138-94-9 |
Synonyms: |
2-methylsulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-methylsulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 2-methylsulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 6-(Methylsulfonyl)pyridine-3-boronic Acid Pinacol Ester (CAS# 1052138-94-9) is a useful research chemical. |
Molecular Weight: | 283.15 |
Molecular Formula: | C12H18NO4SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)S(=O)(=O)C |
InChI: | InChI=1S/C12H18BNO4S/c1-11(2)12(3,4)18-13(17-11)9-6-7-10(14-8-9)19(5,15)16/h6-8H,1-5H3 |
InChI Key: | SCUZUURDIKSGEK-UHFFFAOYSA-N |
MDL: | MFCD11878228 |
LogP: | 1.86510 |
Publication Number | Title | Priority Date |
CN-110678463-A | Substituted nitrogen-containing compounds | 20170601 |
EP-3630752-A1 | Substituted nitrogen containing compounds | 20170601 |
KR-20200011986-A | Substituted Nitrogen-Containing Compounds | 20170601 |
TW-201902888-A | Substituted nitrogenous compound | 20170601 |
US-10501449-B2 | Substituted nitrogen containing compounds | 20170601 |
Complexity: | 427 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.1049594 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.1049594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 73.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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