1-Methyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester - CAS 1002309-52-5
Catalog: |
BB000135 |
Product Name: |
1-Methyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester |
CAS: |
1002309-52-5 |
Synonyms: |
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinone; 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one |
IUPAC Name: | 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one |
Description: | 1-Methyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester (CAS# 1002309-52-5) is a useful research chemical. |
Molecular Weight: | 235.09 |
Molecular Formula: | C12H18NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C=C2)C |
InChI: | InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9/h6-8H,1-5H3 |
InChI Key: | IJUNZKOKAXJGRQ-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
LogP: | 0.68450 |
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-2021269434-A1 | Tricyclic compounds as inhibitors of kras | 20200110 |
WO-2021105960-A1 | Substituted tricyclic compounds | 20191129 |
WO-2021067569-A1 | Substituted 1, 6-naphthyridine inhibitors of cdk5 | 20191001 |
CN-112574189-A | EP300/CBP inhibitor | 20190927 |
WO-2021057915-A1 | Ep300/cbp inhibitor | 20190927 |
Complexity: | 396 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.1379736 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.1379736 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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