6-Amino-5-fluoropyridine-3-boronic Acid Pinacol Ester - CAS 944401-75-6
Catalog: |
BB041322 |
Product Name: |
6-Amino-5-fluoropyridine-3-boronic Acid Pinacol Ester |
CAS: |
944401-75-6 |
Synonyms: |
3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinamine; 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine |
IUPAC Name: | 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine |
Description: | 6-Amino-5-fluoropyridine-3-boronic Acid Pinacol Ester (CAS# 944401-75-6) is a useful research chemical. |
Molecular Weight: | 238.07 |
Molecular Formula: | C11H16FN2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)F |
InChI: | InChI=1S/C11H16BFN2O2/c1-10(2)11(3,4)17-12(16-10)7-5-8(13)9(14)15-6-7/h5-6H,1-4H3,(H2,14,15) |
InChI Key: | OAEDVIUUNHFXLJ-UHFFFAOYSA-N |
MDL: | MFCD12923417 |
LogP: | 1.68330 |
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 |
CN-110627775-A | Small molecule compound | 20191024 |
WO-2021078023-A1 | Small molecule compound | 20191024 |
US-10227331-B2 | Metallo-β-lactamase inhibitors | 20150626 |
US-2018179190-A1 | Metallo-beta-lactamase inhibitors | 20150626 |
JP-2018512399-A | Tricyclic DLK inhibitors and uses thereof | 20150309 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.1288861 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.1288861 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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