2-Fluoropyridine-3-boronic Acid - CAS 174669-73-9
Catalog: |
BB013034 |
Product Name: |
2-Fluoropyridine-3-boronic Acid |
CAS: |
174669-73-9 |
Synonyms: |
(2-fluoro-3-pyridinyl)boronic acid; (2-fluoropyridin-3-yl)boronic acid |
IUPAC Name: | (2-fluoropyridin-3-yl)boronic acid |
Description: | Reactant involved in: Heterocyclization eith α-oxocarboxylic acids; Suzuki-Miyaura coupling reactions. Additionally used as a precursor to biologically active molecules including: Heteroaryl benzylureas with glycogen synthase kinase 3 inhibitory activity; Carboxyindoles with HCV NS5B polymerase inhibitory activity; Pyrazolyl- and thienyl-aminohydantoins with BACE1 inhibitory activity. |
Molecular Weight: | 140.91 |
Molecular Formula: | C5H5FNO2B |
Canonical SMILES: | B(C1=C(N=CC=C1)F)(O)O |
InChI: | InChI=1S/C5H5BFNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3,9-10H |
InChI Key: | YUHZIUAREWNXJT-UHFFFAOYSA-N |
Boiling Point: | 322.6 °C at 760 mmHg |
Melting Point: | 274-283 °C |
Purity: | ≥ 95 % |
Density: | 1.34 g/cm3 |
MDL: | MFCD03411557 |
LogP: | -1.09950 |
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 |
CN-112266386-A | 2-chloroadenine derivative, preparation method and application | 20201020 |
JP-2021102593-A | A new compound that images tau | 20191224 |
KR-20210076876-A | Novel indazole derivatives and use thereof | 20191216 |
KR-20210076879-A | Novel pyrimidine derivatives and use thereof | 20191216 |
WO-2021125802-A1 | Novel indazole derivative, and use thereof | 20191216 |
PMID | Publication Date | Title | Journal |
29844252 | 20180529 | MAO-A Inhibitory Potential of Terpene Constituents from Ginger Rhizomes-A Bioactivity Guided Fractionation | Molecules (Basel, Switzerland) |
28115069 | 20170301 | Diallyl trisulfide attenuated n-hexane induced neurotoxicity in rats by modulating P450 enzymes | Chemico-biological interactions |
26410608 | 20151215 | Gestational N-hexane inhalation alters the expression of genes related to ovarian hormone production and DNA methylation states in adult female F1 rat offspring | Toxicology letters |
23740543 | 20140801 | N-hexane inhalation during pregnancy alters DNA promoter methylation in the ovarian granulosa cells of rat offspring | Journal of applied toxicology : JAT |
23727185 | 20130730 | Antifungal activity and cytotoxicity of isolated compounds from leaves of Breonadia salicina | Journal of ethnopharmacology |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.0397367 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.0397367 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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