About (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-N-[(1R,2S)-3-fluoro-1-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine
(5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-N-[(1R,2S)-3-fluoro-1-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine (PubChem CID 162121952) has the molecular formula C113H135BBrF18N13O17S
and a molecular weight of 2412.14 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-N-[(1R,2S)-3-fluoro-1-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine.
Frequently Asked Questions
What is the IUPAC name of (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-N-[(1R,2S)-3-fluoro-1-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine?
The IUPAC name of (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-N-[(1R,2S)-3-fluoro-1-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine (CID 162121952) is (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-N-[(1R,2S)-3-fluoro-1-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine.
What is the SMILES notation for (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-N-[(1R,2S)-3-fluoro-1-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine?
The canonical SMILES for (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-N-[(1R,2S)-3-fluoro-1-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine is CC1(C)O[C@H](c2ccc(-c3ccc(CNCCCF)nc3)cc2)[C@@H](CF)N1C(=O)C(F)F.CC1(C)O[C@H](c2ccc(-c3ccc(CO)nc3)cc2)[C@@H](CF)N1C(=O)C(F)F.CC1(C)O[C@H](c2ccc(-c3ccc(COS(C)(=O)=O)nc3)cc2)[C@@H](CF)N1C(=O)C(F)F.CC1(C)O[C@H](c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@@H](CF)N1C(=O)C(F)F.NCCCF.O=C(N[C@H](CF)[C@H](O)c1ccc(-c2ccc(CNCCCF)nc2)cc1)C(F)F.OCc1ccc(Br)cn1.
What is the InChIKey of (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-N-[(1R,2S)-3-fluoro-1-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine?
The InChIKey is ZHNJNVUOCWHNQY-YZFBOIHDSA-N. The full InChI is InChI=1S/C23H27F4N3O2.C21H23F3N2O5S.C20H27BF3NO4.C20H23F4N3O2.C20H21F3N2O3.C6H6BrNO.C3H8FN/c1-23(2)30(22(31)21(26)27)19(12-25)20(32-23)16-6-4-15(5-7-16)17-8-9-18(29-13-17)14-28-11-3-10-24;1-21(2)26(20(27)19(23)24)17(10-22)18(31-21)14-6-4-13(5-7-14)15-8-9-16(25-11-15)12-30-32(3,28)29;1-18(2)19(3,4)29-21(28-18)13-9-7-12(8-10-13)15-14(11-22)25(17(26)16(23)24)20(5,6)27-15;21-8-1-9-25-12-16-7-6-15(11-26-16)13-2-4-14(5-3-13)18(28)17(10-22)27-20(29)19(23)24;1-20(2)25(19(27)18(22)23)16(9-21)17(28-20)13-5-3-12(4-6-13)14-7-8-15(11-26)24-10-14;7-5-1-2-6(4-9)8-3-5;4-2-1-3-5/h4-9,13,19-21,28H,3,10-12,14H2,1-2H3;4-9,11,17-19H,10,12H2,1-3H3;7-10,14-16H,11H2,1-6H3;2-7,11,17-19,25,28H,1,8-10,12H2,(H,27,29);3-8,10,16-18,26H,9,11H2,1-2H3;1-3,9H,4H2;1-3,5H2/t19-,20-;17-,18-;14-,15-;17-,18-;16-,17-;;/m11111../s1.
What are the key properties of (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-N-[(1R,2S)-3-fluoro-1-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine?
(5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-N-[(1R,2S)-3-fluoro-1-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine has a molecular weight of 2412.14 g/mol, XLogP of 19.20, 39 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)methanol;[5-[4-[(4S,5R)-3-(2,2-difluoroacetyl)-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidin-5-yl]phenyl]-2-pyridinyl]methyl methanesulfonate;2,2-difluoro-N-[(1R,2S)-3-fluoro-1-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-[(3-fluoropropylamino)methyl]-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-5-[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone;3-fluoropropan-1-amine is sourced from PubChem (CID 162121952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).