2-Amino-3-(trifluoromethyl)pyridine-5-boronic Acid Pinacol Ester - CAS 947249-01-6
Catalog: |
BB041473 |
Product Name: |
2-Amino-3-(trifluoromethyl)pyridine-5-boronic Acid Pinacol Ester |
CAS: |
947249-01-6 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-2-pyridinamine; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine |
Description: | 2-Amino-3-(trifluoromethyl)pyridine-5-boronic Acid Pinacol Ester (CAS# 947249-01-6) is a useful research chemical. |
Molecular Weight: | 288.07 |
Molecular Formula: | C12H16F3N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)C(F)(F)F |
InChI: | InChI=1S/C12H16BF3N2O2/c1-10(2)11(3,4)20-13(19-10)7-5-8(12(14,15)16)9(17)18-6-7/h5-6H,1-4H3,(H2,17,18) |
InChI Key: | OQZKROYNCVLJKM-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD12923414 |
LogP: | 2.56300 |
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-2021115010-A1 | Bicyclo[1.1.1]pentane inhibitors of dual leucine zipper (dlk) kinase for the treatment of disease | 20191021 |
WO-2019109647-A1 | Parp/pi3k double-target inhibitor containing pyridopyrimidine structure | 20171205 |
CN-109867667-B | PARP and PI3K dual-target inhibitors containing pyridopyrimidine structure | 20171205 |
US-2021179610-A1 | Parp/pi3k double-target inhibitor containing pyridopyrimidine structure | 20171205 |
CN-110678466-A | Naphthyridines as HPK1 inhibitors | 20170330 |
Complexity: | 360 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.1256924 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.1256924 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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