2,5-Dimethylpyridine-3-boronic Acid Pinacol Ester - CAS 1309980-12-8
Catalog: |
BB007218 |
Product Name: |
2,5-Dimethylpyridine-3-boronic Acid Pinacol Ester |
CAS: |
1309980-12-8 |
Synonyms: |
2,5-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2,5-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 2,5-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 2,5-Dimethylpyridine-3-boronic Acid Pinacol Ester (CAS# 1309980-12-8) is a useful research chemical compound. |
Molecular Weight: | 233.11 |
Molecular Formula: | C13H20NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2C)C |
InChI: | InChI=1S/C13H20BNO2/c1-9-7-11(10(2)15-8-9)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3 |
InChI Key: | YBBSPCPDRHRFBS-UHFFFAOYSA-N |
MDL: | MFCD17012671 |
LogP: | 1.99760 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2012314518-A1 | Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use | 20110927 |
KR-20140074964-A | Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use | 20110927 |
RU-2638552-C2 | Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods for application | 20110927 |
US-2013079321-A1 | Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use | 20110927 |
US-2014080801-A1 | Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use | 20110927 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.1587090 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.1587090 |
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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