About 6-butoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-ethoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-hexoxy-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)-5-isocyanopyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(3-methylbutoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(4-methylpentoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(2-methylpropoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-pentoxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propan-2-yloxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propoxypyridin-2-amine;methane
6-butoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-ethoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-hexoxy-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)-5-isocyanopyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(3-methylbutoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(4-methylpentoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(2-methylpropoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-pentoxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propan-2-yloxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propoxypyridin-2-amine;methane (PubChem CID 159453434) has the molecular formula C164H186B9N27O19
and a molecular weight of 2936.77 g/mol. Its IUPAC name is 6-butoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-ethoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-hexoxy-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)-5-isocyanopyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(3-methylbutoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(4-methylpentoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(2-methylpropoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-pentoxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propan-2-yloxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propoxypyridin-2-amine;methane.
Frequently Asked Questions
What is the IUPAC name of 6-butoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-ethoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-hexoxy-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)-5-isocyanopyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(3-methylbutoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(4-methylpentoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(2-methylpropoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-pentoxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propan-2-yloxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propoxypyridin-2-amine;methane?
The IUPAC name of 6-butoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-ethoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-hexoxy-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)-5-isocyanopyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(3-methylbutoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(4-methylpentoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(2-methylpropoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-pentoxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propan-2-yloxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propoxypyridin-2-amine;methane (CID 159453434) is 6-butoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-ethoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-hexoxy-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)-5-isocyanopyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(3-methylbutoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(4-methylpentoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(2-methylpropoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-pentoxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propan-2-yloxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propoxypyridin-2-amine;methane.
What is the SMILES notation for 6-butoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-ethoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-hexoxy-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)-5-isocyanopyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(3-methylbutoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(4-methylpentoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(2-methylpropoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-pentoxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propan-2-yloxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propoxypyridin-2-amine;methane?
The canonical SMILES for 6-butoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-ethoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-hexoxy-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)-5-isocyanopyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(3-methylbutoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(4-methylpentoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(2-methylpropoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-pentoxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propan-2-yloxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propoxypyridin-2-amine;methane is C.[C-]#[N+]c1ccc(Nc2ccc3c(c2)COB3C)nc1OC(C)C.[C-]#[N+]c1ccc(Nc2ccc3c(c2)COB3C)nc1OCC.[C-]#[N+]c1ccc(Nc2ccc3c(c2)COB3C)nc1OCC(C)C.[C-]#[N+]c1ccc(Nc2ccc3c(c2)COB3C)nc1OCCC.[C-]#[N+]c1ccc(Nc2ccc3c(c2)COB3C)nc1OCCC(C)C.[C-]#[N+]c1ccc(Nc2ccc3c(c2)COB3C)nc1OCCCC.[C-]#[N+]c1ccc(Nc2ccc3c(c2)COB3C)nc1OCCCC(C)C.[C-]#[N+]c1ccc(Nc2ccc3c(c2)COB3C)nc1OCCCCC.[C-]#[N+]c1ccc(Nc2ccc3c(c2)COB3O)nc1OCCCCCC.
What is the InChIKey of 6-butoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-ethoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-hexoxy-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)-5-isocyanopyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(3-methylbutoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(4-methylpentoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(2-methylpropoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-pentoxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propan-2-yloxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propoxypyridin-2-amine;methane?
The InChIKey is LTQZCJTYQWJUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BN3O2.C19H22BN3O3.2C19H22BN3O2.2C18H20BN3O2.2C17H18BN3O2.C16H16BN3O2.CH4/c1-14(2)6-5-11-25-20-18(22-4)9-10-19(24-20)23-16-7-8-17-15(12-16)13-26-21(17)3;1-3-4-5-6-11-25-19-17(21-2)9-10-18(23-19)22-15-7-8-16-14(12-15)13-26-20(16)24;1-13(2)9-10-24-19-17(21-4)7-8-18(23-19)22-15-5-6-16-14(11-15)12-25-20(16)3;1-4-5-6-11-24-19-17(21-3)9-10-18(23-19)22-15-7-8-16-14(12-15)13-25-20(16)2;1-12(2)10-23-18-16(20-4)7-8-17(22-18)21-14-5-6-15-13(9-14)11-24-19(15)3;1-4-5-10-23-18-16(20-3)8-9-17(22-18)21-14-6-7-15-13(11-14)12-24-19(15)2;1-11(2)23-17-15(19-4)7-8-16(21-17)20-13-5-6-14-12(9-13)10-22-18(14)3;1-4-9-22-17-15(19-3)7-8-16(21-17)20-13-5-6-14-12(10-13)11-23-18(14)2;1-4-21-16-14(18-3)7-8-15(20-16)19-12-5-6-13-11(9-12)10-22-17(13)2;/h7-10,12,14H,5-6,11,13H2,1-3H3,(H,23,24);7-10,12,24H,3-6,11,13H2,1H3,(H,22,23);5-8,11,13H,9-10,12H2,1-3H3,(H,22,23);7-10,12H,4-6,11,13H2,1-2H3,(H,22,23);5-9,12H,10-11H2,1-3H3,(H,21,22);6-9,11H,4-5,10,12H2,1-2H3,(H,21,22);5-9,11H,10H2,1-3H3,(H,20,21);5-8,10H,4,9,11H2,1-2H3,(H,20,21);5-9H,4,10H2,1-2H3,(H,19,20);1H4.
What are the key properties of 6-butoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-ethoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-hexoxy-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)-5-isocyanopyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(3-methylbutoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(4-methylpentoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(2-methylpropoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-pentoxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propan-2-yloxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propoxypyridin-2-amine;methane?
6-butoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-ethoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-hexoxy-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)-5-isocyanopyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(3-methylbutoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(4-methylpentoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(2-methylpropoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-pentoxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propan-2-yloxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propoxypyridin-2-amine;methane has a molecular weight of 2936.77 g/mol, XLogP of 35.06, 52 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-ethoxy-5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)pyridin-2-amine;6-hexoxy-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)-5-isocyanopyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(3-methylbutoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(4-methylpentoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-(2-methylpropoxy)pyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-pentoxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propan-2-yloxypyridin-2-amine;5-isocyano-N-(1-methyl-3H-2,1-benzoxaborol-5-yl)-6-propoxypyridin-2-amine;methane is sourced from PubChem (CID 159453434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).