1209485-79-9
6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONE
Name6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONE
1Identification
【Name】
6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONE
【CAS】
【MDL】
MFCD16996016
【English Synonyms】
【Formula】
C12 H16 B N3 O3
【MolWeight】
261.087
【Inchi】
InChI=1S/C12H16BN3O3/c1-11(2)12(3,4)19-13(18-11)7-5-8-9(14-6-7)16-10(17)15-8/h5-6H,1-4H3,(H2,14,15,16,17)
【InChIKey】
InChIKey=DAVIOYDLBLBRBT-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc3c([nH]c(=O)[nH]3)nc2
【MOL File】
6-(4,4,5,5-TETRAMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONE.cml