About 1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;3-[(4-chloro-2-fluorophenyl)methoxy]-1H-pyridin-2-one;3-[(4-chloro-2-fluorophenyl)methoxy]-1-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-one;3-hydroxy-1H-pyridin-2-one
1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;3-[(4-chloro-2-fluorophenyl)methoxy]-1H-pyridin-2-one;3-[(4-chloro-2-fluorophenyl)methoxy]-1-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-one;3-hydroxy-1H-pyridin-2-one (PubChem CID 160976301) has the molecular formula C160H172BBrCl7F6N17O27
and a molecular weight of 3218.10 g/mol. Its IUPAC name is 1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;3-[(4-chloro-2-fluorophenyl)methoxy]-1H-pyridin-2-one;3-[(4-chloro-2-fluorophenyl)methoxy]-1-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-one;3-hydroxy-1H-pyridin-2-one.
Frequently Asked Questions
What is the IUPAC name of 1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;3-[(4-chloro-2-fluorophenyl)methoxy]-1H-pyridin-2-one;3-[(4-chloro-2-fluorophenyl)methoxy]-1-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-one;3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;3-[(4-chloro-2-fluorophenyl)methoxy]-1H-pyridin-2-one;3-[(4-chloro-2-fluorophenyl)methoxy]-1-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-one;3-hydroxy-1H-pyridin-2-one (CID 160976301) is 1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;3-[(4-chloro-2-fluorophenyl)methoxy]-1H-pyridin-2-one;3-[(4-chloro-2-fluorophenyl)methoxy]-1-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-one;3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;3-[(4-chloro-2-fluorophenyl)methoxy]-1H-pyridin-2-one;3-[(4-chloro-2-fluorophenyl)methoxy]-1-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-one;3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;3-[(4-chloro-2-fluorophenyl)methoxy]-1H-pyridin-2-one;3-[(4-chloro-2-fluorophenyl)methoxy]-1-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-one;3-hydroxy-1H-pyridin-2-one is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(n2cccc(OCc3ccc(Cl)cc3F)c2=O)CC1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1.CC(C)(C)OC(=O)c1ccc2nc(CN3CC=C(n4cccc(OCc5ccc(Cl)cc5F)c4=O)CC3)n(C[C@@H]3CCO3)c2c1.Fc1cc(Cl)ccc1CBr.O=C(O)c1ccc2nc(CN3CC=C(n4cccc(OCc5ccc(Cl)cc5F)c4=O)CC3)n(C[C@@H]3CCO3)c2c1.O=c1[nH]cccc1O.O=c1[nH]cccc1OCc1ccc(Cl)cc1F.O=c1c(OCc2ccc(Cl)cc2F)cccn1C1=CCNCC1.
What is the InChIKey of 1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;3-[(4-chloro-2-fluorophenyl)methoxy]-1H-pyridin-2-one;3-[(4-chloro-2-fluorophenyl)methoxy]-1-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-one;3-hydroxy-1H-pyridin-2-one?
The InChIKey is SYXKOCFUXUWLLA-WDAPUMIYSA-N. The full InChI is InChI=1S/C34H36ClFN4O5.C30H28ClFN4O5.C22H24ClFN2O4.C17H16ClFN2O2.C17H21ClN2O3.C16H28BNO4.C12H9ClFNO2.C7H5BrClF.C5H5NO2/c1-34(2,3)45-33(42)22-7-9-28-29(17-22)40(19-26-12-16-43-26)31(37-28)20-38-14-10-25(11-15-38)39-13-4-5-30(32(39)41)44-21-23-6-8-24(35)18-27(23)36;31-21-5-3-20(24(32)15-21)18-41-27-2-1-10-35(29(27)37)22-7-11-34(12-8-22)17-28-33-25-6-4-19(30(38)39)14-26(25)36(28)16-23-9-13-40-23;1-22(2,3)30-21(28)25-11-8-17(9-12-25)26-10-4-5-19(20(26)27)29-14-15-6-7-16(23)13-18(15)24;18-13-4-3-12(15(19)10-13)11-23-16-2-1-9-21(17(16)22)14-5-7-20-8-6-14;1-17(2,3)23-16(21)11-4-5-13-14(8-11)20(15(9-18)19-13)10-12-6-7-22-12;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;13-9-4-3-8(10(14)6-9)7-17-11-2-1-5-15-12(11)16;8-4-5-1-2-6(9)3-7(5)10;7-4-2-1-3-6-5(4)8/h4-10,13,17-18,26H,11-12,14-16,19-21H2,1-3H3;1-7,10,14-15,23H,8-9,11-13,16-18H2,(H,38,39);4-8,10,13H,9,11-12,14H2,1-3H3;1-5,9-10,20H,6-8,11H2;4-5,8,12H,6-7,9-10H2,1-3H3;8H,9-11H2,1-7H3;1-6H,7H2,(H,15,16);1-3H,4H2;1-3,7H,(H,6,8)/t26-;23-;;;12-;;;;/m00..0..../s1.
What are the key properties of 1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;3-[(4-chloro-2-fluorophenyl)methoxy]-1H-pyridin-2-one;3-[(4-chloro-2-fluorophenyl)methoxy]-1-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-one;3-hydroxy-1H-pyridin-2-one?
1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;3-[(4-chloro-2-fluorophenyl)methoxy]-1H-pyridin-2-one;3-[(4-chloro-2-fluorophenyl)methoxy]-1-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-one;3-hydroxy-1H-pyridin-2-one has a molecular weight of 3218.10 g/mol, XLogP of 31.52, 35 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-chloro-2-fluorobenzene;tert-butyl 4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;3-[(4-chloro-2-fluorophenyl)methoxy]-1H-pyridin-2-one;3-[(4-chloro-2-fluorophenyl)methoxy]-1-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-one;3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 160976301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).