3-Cyano-2-morpholinopyridine-5-boronic acid, pinacol ester - CAS 1356068-62-6
Catalog: |
BB069026 |
Product Name: |
3-Cyano-2-morpholinopyridine-5-boronic acid, pinacol ester |
CAS: |
1356068-62-6 |
Synonyms: |
2-Morpholino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile; 3-Cyano-2-morpholinopyridine-5-boronic acid, pinacol ester; 2-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile |
IUPAC Name: | 2-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile |
Description: | 3-Cyano-2-morpholinopyridine-5-boronic acid, pinacol ester |
Molecular Weight: | 315.18 |
Molecular Formula: | C16H22BN3O3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N3CCOCC3)C#N |
InChI: | InChI=1S/C16H22BN3O3/c1-15(2)16(3,4)23-17(22-15)13-9-12(10-18)14(19-11-13)20-5-7-21-8-6-20/h9,11H,5-8H2,1-4H3 |
InChI Key: | KMOMTJKORSQJNI-UHFFFAOYSA-N |
Complexity: | 468 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 315.1754217 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.1754217 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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