2,4-Dimethylpyridine-3-boronic Acid Pinacol Ester - CAS 1421252-89-2
Catalog: |
BB009301 |
Product Name: |
2,4-Dimethylpyridine-3-boronic Acid Pinacol Ester |
CAS: |
1421252-89-2 |
Synonyms: |
2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 2,4-Dimethylpyridine-3-boronic Acid Pinacol Ester (CAS# 1421252-89-2 ) is a useful research chemical. |
Molecular Weight: | 233.11 |
Molecular Formula: | C13H20NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CN=C2C)C |
InChI: | InChI=1S/C13H20BNO2/c1-9-7-8-15-10(2)11(9)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3 |
InChI Key: | IJYILPGEZFUJON-UHFFFAOYSA-N |
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 |
CN-110678466-A | Naphthyridines as HPK1 inhibitors | 20170330 |
KR-20190136028-A | Naphthyridine as an HPK1 Inhibitor | 20170330 |
TW-201904964-A | Acridine as an inhibitor of HPK1 | 20170330 |
US-10407424-B2 | Naphthyridines as inhibitors of HPK1 | 20170330 |
US-2018282328-A1 | Naphthyridines as inhibitors of hpk1 | 20170330 |
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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