2-Cyanopyridine-4-boronic Acid Pinacol Ester - CAS 741709-62-6
Catalog: |
BB035005 |
Product Name: |
2-Cyanopyridine-4-boronic Acid Pinacol Ester |
CAS: |
741709-62-6 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinecarbonitrile; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile |
IUPAC Name: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile |
Description: | A pyridylborane derivative evaluated for its kinase inhibitory activity. |
Molecular Weight: | 230.07 |
Molecular Formula: | C12H15N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)C#N |
InChI: | InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)9-5-6-15-10(7-9)8-14/h5-7H,1-4H3 |
InChI Key: | SARWEPUHGNIVNJ-UHFFFAOYSA-N |
Boiling Point: | 409.872 °C at 760 mmHg |
Density: | 1.152 g/cm3 |
Appearance: | Pale-yellow to yellow-brown solid |
LogP: | 1.25248 |
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-2021155320-A1 | Compounds and uses thereof | 20200129 |
WO-2021099832-A2 | Adenosine receptor antagonist compounds | 20191119 |
WO-2021099837-A1 | Adenosine receptor antagonist compounds | 20191119 |
WO-2021099838-A1 | Adenosine receptor antagonist compounds | 20191119 |
CN-112851607-A | Amide derivative, preparation method and medical application thereof | 20191112 |
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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