About 1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-2,3-dihydro-1-benzoborol-6-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone
1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-2,3-dihydro-1-benzoborol-6-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 158903246) has the molecular formula C139H122B9Cl3F9N9O26
and a molecular weight of 2709.19 g/mol. Its IUPAC name is 1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-2,3-dihydro-1-benzoborol-6-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone.
Frequently Asked Questions
What is the IUPAC name of 1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-2,3-dihydro-1-benzoborol-6-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-2,3-dihydro-1-benzoborol-6-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone (CID 158903246) is 1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-2,3-dihydro-1-benzoborol-6-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-2,3-dihydro-1-benzoborol-6-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-2,3-dihydro-1-benzoborol-6-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone is Cc1ccc(C(=O)Cc2ccc3c(c2)B(O)OC3)nc1C.Cc1ccc(C(=O)Cc2ccc3c(c2)B(O)OC3)nc1Cl.Cc1ccc(C(=O)Cc2ccc3c(c2)B(O)OC3)nc1F.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)CC3)cc1C(F)(F)F.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)OC3)c(C(F)(F)F)c1.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)OC3)c(Cl)c1.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)OC3)c(F)c1.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)OC3)cc1Cl.Cc1cnc(C(=O)Cc2ccc3c(c2)B(O)OC3)cc1F.
What is the InChIKey of 1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-2,3-dihydro-1-benzoborol-6-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is JFSDWIJWDOBZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BF3NO2.C16H13BF3NO3.C16H16BNO3.3C15H13BClNO3.3C15H13BFNO3/c1-10-9-22-15(8-13(10)17(19,20)21)16(23)7-11-2-3-12-4-5-18(24)14(12)6-11;1-9-4-12(16(18,19)20)15(21-7-9)14(22)6-10-2-3-11-8-24-17(23)13(11)5-10;1-10-3-6-15(18-11(10)2)16(19)8-12-4-5-13-9-21-17(20)14(13)7-12;1-9-2-5-13(18-15(9)17)14(19)7-10-3-4-11-8-21-16(20)12(11)6-10;1-9-7-18-14(6-13(9)17)15(19)5-10-2-3-11-8-21-16(20)12(11)4-10;1-9-4-13(17)15(18-7-9)14(19)6-10-2-3-11-8-21-16(20)12(11)5-10;1-9-2-5-13(18-15(9)17)14(19)7-10-3-4-11-8-21-16(20)12(11)6-10;1-9-7-18-14(6-13(9)17)15(19)5-10-2-3-11-8-21-16(20)12(11)4-10;1-9-4-13(17)15(18-7-9)14(19)6-10-2-3-11-8-21-16(20)12(11)5-10/h2-3,6,8-9,24H,4-5,7H2,1H3;2-5,7,23H,6,8H2,1H3;3-7,20H,8-9H2,1-2H3;2-6,20H,7-8H2,1H3;2-4,6-7,20H,5,8H2,1H3;2-5,7,20H,6,8H2,1H3;2-6,20H,7-8H2,1H3;2-4,6-7,20H,5,8H2,1H3;2-5,7,20H,6,8H2,1H3.
What are the key properties of 1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-2,3-dihydro-1-benzoborol-6-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone?
1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-2,3-dihydro-1-benzoborol-6-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 2709.19 g/mol, XLogP of 14.55, 27 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;1-(6-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)ethanone;2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-2,3-dihydro-1-benzoborol-6-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 158903246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).