4-Cyanopyridine-3-boronic Acid Pinacol Ester - CAS 878194-91-3
Catalog: |
BB038646 |
Product Name: |
4-Cyanopyridine-3-boronic Acid Pinacol Ester |
CAS: |
878194-91-3 |
Synonyms: |
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pyridinecarbonitrile; 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carbonitrile |
IUPAC Name: | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carbonitrile |
Description: | 4-Cyanopyridine-3-boronic Acid Pinacol Ester (CAS# 878194-91-3) 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=CN=C2)C#N |
InChI: | InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)10-8-15-6-5-9(10)7-14/h5-6,8H,1-4H3 |
InChI Key: | DQQFRFWEPQBNEN-UHFFFAOYSA-N |
Boiling Point: | 365.5 °C at 760 mmHg |
Density: | 1.1 g/cm3 |
MDL: | MFCD08458478 |
LogP: | 1.25248 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P351+P338, and P337+P317 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112159361-A | Electron transport material, organic electroluminescent device and display device | 20201106 |
WO-2021113263-A1 | Crf receptor antagonists and methods of use | 20191204 |
US-2021040071-A1 | Solid forms of an hpk1 inhibitor | 20190806 |
WO-2021026180-A1 | Solid forms of an hpk1 inhibitor | 20190806 |
US-11066394-B2 | Solid forms of an HPK1 inhibitor | 20190806 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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