6-Cyclopropylpyridine-3-boronic Acid Pinacol Ester - CAS 893567-09-4
Catalog: |
BB039440 |
Product Name: |
6-Cyclopropylpyridine-3-boronic Acid Pinacol Ester |
CAS: |
893567-09-4 |
Synonyms: |
2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 6-Cyclopropylpyridine-3-boronic Acid Pinacol Ester (CAS# 893567-09-4) is a useful research chemical. |
Molecular Weight: | 245.13 |
Molecular Formula: | C14H20NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C3CC3 |
InChI: | InChI=1S/C14H20BNO2/c1-13(2)14(3,4)18-15(17-13)11-7-8-12(16-9-11)10-5-6-10/h7-10H,5-6H2,1-4H3 |
InChI Key: | XJHHJKRQUDXIKL-UHFFFAOYSA-N |
Boiling Point: | 354.102 °C at 760 mmHg |
Density: | 1.073 g/cm3 |
MDL: | MFCD09952039 |
LogP: | 2.25820 |
Publication Number | Title | Priority Date |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
US-2020206216-A1 | Inhibitors of fibroblast activation protein | 20181221 |
US-10647705-B2 | Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors | 20171114 |
US-2019144433-A1 | Novel substituted biaryl compounds as indoleamine 2,3-dioxygenase (ido) inhibitors | 20171114 |
US-2020216425-A1 | Novel substituted biaryl compounds as indoleamine 2,3-dioxygenase (ido) inhibitors | 20171114 |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.158709 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.158709 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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