6-(1-Piperidinyl)pyridine-3-boronic Acid Pinacol Ester - CAS 852228-08-1
Catalog: |
BB037541 |
Product Name: |
6-(1-Piperidinyl)pyridine-3-boronic Acid Pinacol Ester |
CAS: |
852228-08-1 |
Synonyms: |
2-(1-piperidinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 6-(1-Piperidinyl)pyridine-3-boronic Acid Pinacol Ester (CAS# 852228-08-1) is a useful research chemical. |
Molecular Weight: | 288.19 |
Molecular Formula: | C16H25N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCCCC3 |
InChI: | InChI=1S/C16H25BN2O2/c1-15(2)16(3,4)21-17(20-15)13-8-9-14(18-12-13)19-10-6-5-7-11-19/h8-9,12H,5-7,10-11H2,1-4H3 |
InChI Key: | MLJZIQHWAUYAPA-UHFFFAOYSA-N |
Boiling Point: | 427.8 °C at 760 mmHg |
Melting Point: | 110-114 °C |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.07 g/cm3 |
Appearance: | Beige to yellow powder |
MDL: | MFCD06798274 |
LogP: | 2.43610 |
GHS Hazard Statement: | H302 (50%): 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-2021023813-A1 | 5-heteroaryl-pyridin-2-amine confounds as neuropeptide ff receptor antagonists | 20190806 |
WO-2020247804-A1 | Heterocycle substituted pyridine derivative antifungal agents | 20190607 |
US-2020308163-A1 | Compounds and compositions as modulators of tlr signaling | 20190326 |
CN-113164476-A | Small molecule inhibitor of DYRK1/CLK and application thereof | 20180928 |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.2009082 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.2009082 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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