936091-08-6
2-PYRIDINECARBOXAMIDE, N-(6-METHYL-2-PYRIDINYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
Name2-PYRIDINECARBOXAMIDE, N-(6-METHYL-2-PYRIDINYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
1Identification
【Name】
2-PYRIDINECARBOXAMIDE, N-(6-METHYL-2-PYRIDINYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
【CAS】
【MDL】
MFCD13191372
【English Synonyms】
【Formula】
C18 H22 B N3 O3
【MolWeight】
339.201
【Inchi】
InChI=1S/C18H22BN3O3/c1-12-7-6-8-15(21-12)22-16(23)14-10-9-13(11-20-14)19-24-17(2,3)18(4,5)25-19/h6-11H,1-5H3,(H,21,22,23)
【InChIKey】
InChIKey=VYSPNIXTVWMWJD-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)C(=O)Nc3cccc(n3)C
【MOL File】
2-PYRIDINECARBOXAMID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-PYRIDINECARBOXAMIDE, N-(6-METHYL-2-PYRIDINYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-.cml