5-Bromo-2-fluoropyridine-3-boronic acid - CAS 501435-91-2
Catalog: |
BB026935 |
Product Name: |
5-Bromo-2-fluoropyridine-3-boronic acid |
CAS: |
501435-91-2 |
Synonyms: |
(5-bromo-2-fluoro-3-pyridinyl)boronic acid; (5-bromo-2-fluoropyridin-3-yl)boronic acid |
IUPAC Name: | (5-bromo-2-fluoropyridin-3-yl)boronic acid |
Description: | 5-Bromo-2-fluoropyridine-3-boronic acid (CAS# 501435-91-2) is a useful research chemical. |
Molecular Weight: | 219.80 |
Molecular Formula: | C5H4BBrFNO2 |
Canonical SMILES: | B(C1=CC(=CN=C1F)Br)(O)O |
InChI: | InChI=1S/C5H4BBrFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2,10-11H |
InChI Key: | YAXKWQSQZIVTFC-UHFFFAOYSA-N |
Boiling Point: | 357.1 °C at 760 mmHg |
Density: | 1.86 g/cm33 |
MDL: | MFCD04039317 |
LogP: | -0.33700 |
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 |
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PMID | Publication Date | Title | Journal |
12688820 | 20030418 | Versatile synthesis of 3,5-disubstituted 2-fluoropyridines and 2-pyridones | The Journal of organic chemistry |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.95025 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.95025 |
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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