2-Methylpyridine-3-boronic Acid Pinacol Ester - CAS 1012084-56-8
Catalog: |
BB000467 |
Product Name: |
2-Methylpyridine-3-boronic Acid Pinacol Ester |
CAS: |
1012084-56-8 |
Synonyms: |
2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 2-Methylpyridine-3-boronic Acid Pinacol Ester (CAS# 1012084-56-8) is a useful research chemical compound. |
Molecular Weight: | 219.09 |
Molecular Formula: | C12H18NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)C |
InChI: | InChI=1S/C12H18BNO2/c1-9-10(7-6-8-14-9)13-15-11(2,3)12(4,5)16-13/h6-8H,1-5H3 |
InChI Key: | WXPRMDIXTKNFIG-UHFFFAOYSA-N |
Boiling Point: | 311.6 °C at 760 mmHg |
Density: | 1.02 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08669594 |
LogP: | 1.68920 |
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 |
US-2021317079-A1 | Tetralin and tetrahydroquinoline compounds as inhibitors of hif-2alpha | 20200319 |
WO-2021188769-A1 | Tetralin and tetrahydroquinoline compounds as inhibitors of hif-2alpha | 20200319 |
WO-2021159993-A1 | Inhibitors of interleukin-1 receptor associated kinase (irak) /fms-like receptor tyrosine kinase (flt3), pharmaceutical products thereof, and methods thereof | 20200214 |
WO-2021120890-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 20191220 |
WO-2021124222-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 20191220 |
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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