6-(Ethylsulfonyl)pyridine-3-boronic Acid - CAS 1256345-84-2
Catalog: |
BB006152 |
Product Name: |
6-(Ethylsulfonyl)pyridine-3-boronic Acid |
CAS: |
1256345-84-2 |
Synonyms: |
(6-ethylsulfonyl-3-pyridinyl)boronic acid; (6-ethylsulfonylpyridin-3-yl)boronic acid |
IUPAC Name: | (6-ethylsulfonylpyridin-3-yl)boronic acid |
Description: | 6-(Ethylsulfonyl)pyridine-3-boronic Acid (CAS# 1256345-84-2) is a useful research chemical. |
Molecular Weight: | 215.03 |
Molecular Formula: | C7H10NO4SB |
Canonical SMILES: | B(C1=CN=C(C=C1)S(=O)(=O)CC)(O)O |
InChI: | InChI=1S/C7H10BNO4S/c1-2-14(12,13)7-4-3-6(5-9-7)8(10)11/h3-5,10-11H,2H2,1H3 |
InChI Key: | NAHDBJRIKJSJMV-UHFFFAOYSA-N |
LogP: | -0.36420 |
Publication Number | Title | Priority Date |
US-10266532-B2 | Tricyclic modulators of TNF signaling | 20150417 |
US-2016304517-A1 | Tricyclic modulators of tnf signaling | 20150417 |
US-2018179198-A1 | Tricyclic modulators of tnf signaling | 20150417 |
US-9856253-B2 | Tricyclic modulators of TNF signaling | 20150417 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.0423591 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.0423591 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 95.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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