5-Fluoro-3-pyridylboronic acid - CAS 872041-86-6
Catalog: |
BB038333 |
Product Name: |
5-Fluoro-3-pyridylboronic acid |
CAS: |
872041-86-6 |
Synonyms: |
ACMC-209qir; Boric acid fluoride-3-5; SCHEMBL27969; 3-fluoro-5-pyridineboronic acid; (5-fluoranylpyridin-3-yl)boronic acid; AKOS005258007; ZINC169743450; AB31983; 5-Fluoropyridine-3-boronic acid |
IUPAC Name: | (5-fluoropyridin-3-yl)boronic acid |
Description: | 5-Fluoro-3-pyridylboronic acid is used as a pharmaceutical intermediate. |
Molecular Weight: | 140.91 |
Molecular Formula: | C5H5BFNO2 |
Canonical SMILES: | B(C1=CC(=CN=C1)F)(O)O |
InChI: | InChI=1S/C5H5BFNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H |
InChI Key: | FVEDGBRHTGXPOK-UHFFFAOYSA-N |
Boiling Point: | 292.9±50.0 °C (Predicted) |
Melting Point: | 233-236 °C |
Purity: | > 98 % (HPLC) |
Density: | 1.340±0.10 g/cm3 (Predicted) |
Solubility: | Soluble in hot Methanol |
Appearance: | White or quasi-white powder |
Storage: | 2-8 °C |
MDL: | MFCD07368243 |
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 |
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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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