2-Cyano-3-methylpyridine-5-boronic Acid Pinacol Ester - CAS 1150561-70-8
Catalog: |
BB003476 |
Product Name: |
2-Cyano-3-methylpyridine-5-boronic Acid Pinacol Ester |
CAS: |
1150561-70-8 |
Synonyms: |
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinecarbonitrile; 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile |
IUPAC Name: | 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile |
Description: | 2-Cyano-3-methylpyridine-5-boronic Acid Pinacol Ester (CAS# 1150561-70-8) is a useful research chemical. |
Molecular Weight: | 244.10 |
Molecular Formula: | C13H17N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)C#N)C |
InChI: | InChI=1S/C13H17BN2O2/c1-9-6-10(8-16-11(9)7-15)14-17-12(2,3)13(4,5)18-14/h6,8H,1-5H3 |
InChI Key: | HQSMPPQBXULOMO-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.56088 |
Publication Number | Title | Priority Date |
AU-2017353381-A1 | Substituted pyrido[3,4-b]indoles for the treatment of cartilage disorders | 20161107 |
CA-3042332-A1 | Substituted pyrido[3,4-b]indoles for the treatment of cartilage disorders | 20161107 |
EP-3318563-A1 | Substituted pyrido[3,4-b]indoles for the treatment of cartilage disorders | 20161107 |
EP-3535263-A1 | Substituted pyrido[3,4-b]indoles for the treatment of cartilage disorders | 20161107 |
JP-2019537587-A | Substituted pyrido [3,4-b] indoles and their use as pharmaceuticals | 20161107 |
Complexity: | 358 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.138308 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.138308 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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