2-Fluoropyridine-4-boronic Acid Pinacol Ester - CAS 458532-86-0
Catalog: |
BB025998 |
Product Name: |
2-Fluoropyridine-4-boronic Acid Pinacol Ester |
CAS: |
458532-86-0 |
Synonyms: |
2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 2-Fluoropyridine-4-boronic Acid Pinacol Ester (CAS# 458532-86-0) is a useful research chemical. |
Molecular Weight: | 223.05 |
Molecular Formula: | C11H15FNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)F |
InChI: | InChI=1S/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1-4H3 |
InChI Key: | PCLMNCBIXQQRMB-UHFFFAOYSA-N |
Boiling Point: | 312.1 °C at 760 mmHg |
Density: | 1.09 g/cm3 |
Appearance: | Off white powder |
MDL: | MFCD06798253 |
LogP: | 1.51990 |
GHS Hazard Statement: | H302 (28.57%): 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 |
CN-111285859-A | 2,4, 5-trisubstituted pyrimidine compounds with HIV-1 reverse transcriptase as target, and preparation method and application thereof | 20200402 |
CN-111285859-B | 2,4, 5-trisubstituted pyrimidine compounds with HIV-1 reverse transcriptase as target, and preparation method and application thereof | 20200402 |
US-2021230153-A1 | Aryl hydrocarbon receptor (ahr) agonists and uses thereof | 20191220 |
WO-2021032591-A1 | Macrocyclic sulfonylurea derivatives useful as nlrp3 inhibitors | 20190816 |
WO-2020255022-A1 | Combination of hepatitis b virus (hbv) vaccines and aminopyridine derivatives as hpk1 inhibitors | 20190618 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.1179870 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.1179870 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 31.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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