3-Cyano-4-pyridineboronic Acid Pinacol Ester - CAS 878194-92-4
Catalog: |
BB038647 |
Product Name: |
3-Cyano-4-pyridineboronic Acid Pinacol Ester |
CAS: |
878194-92-4 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinecarbonitrile; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile |
IUPAC Name: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile |
Description: | 3-Cyano-4-pyridineboronic Acid Pinacol Ester (CAS# 878194-92-4) is a useful research chemical. |
Molecular Weight: | 230.07 |
Molecular Formula: | C12H15N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2)C#N |
InChI: | InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)10-5-6-15-8-9(10)7-14/h5-6,8H,1-4H3 |
InChI Key: | LUDBQHAQFBWGNI-UHFFFAOYSA-N |
Boiling Point: | 369.6 °C at 760 mmHg |
Density: | 1.1 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09037481 |
LogP: | 1.25248 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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 |
CN-113164476-A | Small molecule inhibitor of DYRK1/CLK and application thereof | 20180928 |
US-2020039989-A1 | Small molecule inhibitors of dyrk/clk and uses thereof | 20180301 |
US-2019292188-A1 | Imidazopyrimidines and triazolopyrimidines as a2a / a2b inhibitors | 20180227 |
IL-276873-D0 | Midazopyrimidines and triazolopyrimidines as a2a / a2b inhibitors | 20180227 |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.1226579 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.1226579 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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