5-Fluoro-2-(pivalamido)pyridine-3-boronic acid pinacol ester - CAS 1309980-31-1
Catalog: |
BB056148 |
Product Name: |
5-Fluoro-2-(pivalamido)pyridine-3-boronic acid pinacol ester |
CAS: |
1309980-31-1 |
Synonyms: |
N-(5-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)pivalamide; 5-FLUORO-2-(PIVALAMIDO)PYRIDINE-3-BORONIC ACID PINACOL ESTER; N-[5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]-2,2-dimethylpropanamide; N-(5-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)pivalamide, AldrichCPR |
IUPAC Name: | N-[5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]-2,2-dimethylpropanamide |
Description: | 5-Fluoro-2-(pivalamido)pyridine-3-boronic acid pinacol ester |
Molecular Weight: | 322.18 |
Molecular Formula: | C16H24BFN2O3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2NC(=O)C(C)(C)C)F |
InChI: | InChI=1S/C16H24BFN2O3/c1-14(2,3)13(21)20-12-11(8-10(18)9-19-12)17-22-15(4,5)16(6,7)23-17/h8-9H,1-7H3,(H,19,20,21) |
InChI Key: | IUKIHBRQVPSHHI-UHFFFAOYSA-N |
Complexity: | 449 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 322.186401 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 322.186401 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 60.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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