5-Methylpyridine-3-boronic Acid Pinacol Ester - CAS 1171891-42-1
Catalog: |
BB003863 |
Product Name: |
5-Methylpyridine-3-boronic Acid Pinacol Ester |
CAS: |
1171891-42-1 |
Synonyms: |
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 5-Methylpyridine-3-boronic Acid Pinacol Ester (CAS# 1171891-42-1) is a useful research chemical. |
Molecular Weight: | 219.09 |
Molecular Formula: | C12H18NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C |
InChI: | InChI=1S/C12H18BNO2/c1-9-6-10(8-14-7-9)13-15-11(2,3)12(4,5)16-13/h6-8H,1-5H3 |
InChI Key: | SYEVQHAWWSEMRN-UHFFFAOYSA-N |
LogP: | 1.68920 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
WO-2020130214-A1 | Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof | 20181219 |
KR-20200076808-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20181219 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.1430590 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.1430590 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 31.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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