3-Chloro-2-fluoropyridine-4-boronic Acid - CAS 1217500-55-4
Catalog: |
BB005259 |
Product Name: |
3-Chloro-2-fluoropyridine-4-boronic Acid |
CAS: |
1217500-55-4 |
Synonyms: |
(3-chloro-2-fluoro-4-pyridinyl)boronic acid; (3-chloro-2-fluoropyridin-4-yl)boronic acid |
IUPAC Name: | (3-chloro-2-fluoropyridin-4-yl)boronic acid |
Description: | 3-Chloro-2-fluoropyridine-4-boronic Acid (CAS# 1217500-55-4) is a useful research chemical. |
Molecular Weight: | 175.35 |
Molecular Formula: | C5H4ClFNO2B |
Canonical SMILES: | B(C1=C(C(=NC=C1)F)Cl)(O)O |
InChI: | InChI=1S/C5H4BClFNO2/c7-4-3(6(10)11)1-2-9-5(4)8/h1-2,10-11H |
InChI Key: | VYHSSQRGIWMXJE-UHFFFAOYSA-N |
Solubility: | Insoluble in water |
Appearance: | White to light beige powder |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
LogP: | -0.44610 |
Publication Number | Title | Priority Date |
CN-111484491-A | Substituted pyrido-cyclic compounds, process for their preparation and their use | 20190125 |
WO-2020081848-A1 | Protein tyrosine phosphatase inhibitors | 20181017 |
EP-3867238-A1 | Protein tyrosine phosphatase inhibitors | 20181017 |
KR-20210076098-A | protein tyrosine phosphatase inhibitor | 20181017 |
US-2020108071-A1 | Imidazopyrimidine derivatives | 20181003 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.0007644 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.0007644 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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