2-Methoxycarbonyl-4-pyridineboronic Acid Pinacol Ester - CAS 957062-72-5
Catalog: |
BB041815 |
Product Name: |
2-Methoxycarbonyl-4-pyridineboronic Acid Pinacol Ester |
CAS: |
957062-72-5 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinecarboxylic acid methyl ester; methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate |
IUPAC Name: | methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate |
Description: | 2-Methoxycarbonyl-4-pyridineboronic Acid Pinacol Ester (CAS# 957062-72-5) is a useful research chemical. |
Molecular Weight: | 263.10 |
Molecular Formula: | C13H18NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)C(=O)OC |
InChI: | InChI=1S/C13H18BNO4/c1-12(2)13(3,4)19-14(18-12)9-6-7-15-10(8-9)11(16)17-5/h6-8H,1-5H3 |
InChI Key: | ZZABXPYOKWIHHV-UHFFFAOYSA-N |
MDL: | MFCD08752647 |
LogP: | 1.16740 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021071802-A1 | Aryl heterocyclic compounds as kv1.3 potassium shaker channel blockers | 20191007 |
WO-2021071803-A1 | Aryl heterobicyclic compounds as kv1.3 potassium shaker channel blockers | 20191007 |
WO-2020212351-A1 | Substituted cyanopyrrolidines with activity as usp30 inhibitors | 20190416 |
WO-2020210366-A1 | Condensed azines for ep300 or cbp modulation and indications therefor | 20190409 |
US-2021315872-A1 | COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR | 20190409 |
Complexity: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.1328882 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.1328882 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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