About 1-bromo-2,3-difluoro-4-nitrobenzene;3-bromo-2-fluoro-6-nitro-N-[[(2S)-oxetan-2-yl]methyl]aniline;(2-chloroacetyl) 2-chloroacetate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;methane;methyl 4-amino-2-fluoro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-(chloromethyl)-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-fluoro-4-nitro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;[(2S)-oxetan-2-yl]methanamine
1-bromo-2,3-difluoro-4-nitrobenzene;3-bromo-2-fluoro-6-nitro-N-[[(2S)-oxetan-2-yl]methyl]aniline;(2-chloroacetyl) 2-chloroacetate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;methane;methyl 4-amino-2-fluoro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-(chloromethyl)-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-fluoro-4-nitro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;[(2S)-oxetan-2-yl]methanamine (PubChem CID 158724862) has the molecular formula C141H143Br2Cl6F11N20O29
and a molecular weight of 3163.31 g/mol. Its IUPAC name is 1-bromo-2,3-difluoro-4-nitrobenzene;3-bromo-2-fluoro-6-nitro-N-[[(2S)-oxetan-2-yl]methyl]aniline;(2-chloroacetyl) 2-chloroacetate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;methane;methyl 4-amino-2-fluoro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-(chloromethyl)-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-fluoro-4-nitro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;[(2S)-oxetan-2-yl]methanamine.
Frequently Asked Questions
What is the IUPAC name of 1-bromo-2,3-difluoro-4-nitrobenzene;3-bromo-2-fluoro-6-nitro-N-[[(2S)-oxetan-2-yl]methyl]aniline;(2-chloroacetyl) 2-chloroacetate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;methane;methyl 4-amino-2-fluoro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-(chloromethyl)-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-fluoro-4-nitro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;[(2S)-oxetan-2-yl]methanamine?
The IUPAC name of 1-bromo-2,3-difluoro-4-nitrobenzene;3-bromo-2-fluoro-6-nitro-N-[[(2S)-oxetan-2-yl]methyl]aniline;(2-chloroacetyl) 2-chloroacetate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;methane;methyl 4-amino-2-fluoro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-(chloromethyl)-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-fluoro-4-nitro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;[(2S)-oxetan-2-yl]methanamine (CID 158724862) is 1-bromo-2,3-difluoro-4-nitrobenzene;3-bromo-2-fluoro-6-nitro-N-[[(2S)-oxetan-2-yl]methyl]aniline;(2-chloroacetyl) 2-chloroacetate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;methane;methyl 4-amino-2-fluoro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-(chloromethyl)-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-fluoro-4-nitro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;[(2S)-oxetan-2-yl]methanamine.
What is the SMILES notation for 1-bromo-2,3-difluoro-4-nitrobenzene;3-bromo-2-fluoro-6-nitro-N-[[(2S)-oxetan-2-yl]methyl]aniline;(2-chloroacetyl) 2-chloroacetate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;methane;methyl 4-amino-2-fluoro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-(chloromethyl)-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-fluoro-4-nitro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;[(2S)-oxetan-2-yl]methanamine?
The canonical SMILES for 1-bromo-2,3-difluoro-4-nitrobenzene;3-bromo-2-fluoro-6-nitro-N-[[(2S)-oxetan-2-yl]methyl]aniline;(2-chloroacetyl) 2-chloroacetate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;methane;methyl 4-amino-2-fluoro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-(chloromethyl)-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-fluoro-4-nitro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;[(2S)-oxetan-2-yl]methanamine is C.COC(=O)c1ccc(N)c(NC[C@@H]2CCO2)c1F.COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCO2)c1F.COC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1F.COC(=O)c1ccc2nc(CN3CC=C(c4cccc(OCc5ccc(Cl)cc5F)n4)CC3)n(C[C@@H]3CCO3)c2c1F.Fc1cc(Cl)ccc1COc1cccc(C2=CCNCC2)n1.NC[C@@H]1CCO1.O=C(CCl)OC(=O)CCl.O=C(O)c1ccc2nc(CN3CC=C(c4cccc(OCc5ccc(Cl)cc5F)n4)CC3)n(C[C@@H]3CCO3)c2c1F.O=[N+]([O-])c1ccc(Br)c(F)c1F.O=[N+]([O-])c1ccc(Br)c(F)c1NC[C@@H]1CCO1.
What is the InChIKey of 1-bromo-2,3-difluoro-4-nitrobenzene;3-bromo-2-fluoro-6-nitro-N-[[(2S)-oxetan-2-yl]methyl]aniline;(2-chloroacetyl) 2-chloroacetate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;methane;methyl 4-amino-2-fluoro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-(chloromethyl)-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-fluoro-4-nitro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;[(2S)-oxetan-2-yl]methanamine?
The InChIKey is IKJHPOJCKPLRGB-LKMUIYBVSA-N. The full InChI is InChI=1S/C31H29ClF2N4O4.C30H27ClF2N4O4.C17H16ClFN2O.C14H14ClFN2O3.C12H13FN2O5.C12H15FN2O3.C10H10BrFN2O3.C6H2BrF2NO2.C4H4Cl2O3.C4H9NO.CH4/c1-40-31(39)23-7-8-26-30(29(23)34)38(16-22-11-14-41-22)27(35-26)17-37-12-9-19(10-13-37)25-3-2-4-28(36-25)42-18-20-5-6-21(32)15-24(20)33;31-20-5-4-19(23(32)14-20)17-41-27-3-1-2-24(35-27)18-8-11-36(12-9-18)16-26-34-25-7-6-22(30(38)39)28(33)29(25)37(26)15-21-10-13-40-21;18-14-5-4-13(15(19)10-14)11-22-17-3-1-2-16(21-17)12-6-8-20-9-7-12;1-20-14(19)9-2-3-10-13(12(9)16)18(11(6-15)17-10)7-8-4-5-21-8;1-19-12(16)8-2-3-9(15(17)18)11(10(8)13)14-6-7-4-5-20-7;1-17-12(16)8-2-3-9(14)11(10(8)13)15-6-7-4-5-18-7;11-7-1-2-8(14(15)16)10(9(7)12)13-5-6-3-4-17-6;7-3-1-2-4(10(11)12)6(9)5(3)8;5-1-3(7)9-4(8)2-6;5-3-4-1-2-6-4;/h2-9,15,22H,10-14,16-18H2,1H3;1-8,14,21H,9-13,15-17H2,(H,38,39);1-6,10,20H,7-9,11H2;2-3,8H,4-7H2,1H3;2-3,7,14H,4-6H2,1H3;2-3,7,15H,4-6,14H2,1H3;1-2,6,13H,3-5H2;1-2H;1-2H2;4H,1-3,5H2;1H4/t22-;21-;;8-;2*7-;6-;;;4-;/m00.0000..0./s1.
What are the key properties of 1-bromo-2,3-difluoro-4-nitrobenzene;3-bromo-2-fluoro-6-nitro-N-[[(2S)-oxetan-2-yl]methyl]aniline;(2-chloroacetyl) 2-chloroacetate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;methane;methyl 4-amino-2-fluoro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-(chloromethyl)-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-fluoro-4-nitro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;[(2S)-oxetan-2-yl]methanamine?
1-bromo-2,3-difluoro-4-nitrobenzene;3-bromo-2-fluoro-6-nitro-N-[[(2S)-oxetan-2-yl]methyl]aniline;(2-chloroacetyl) 2-chloroacetate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;methane;methyl 4-amino-2-fluoro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-(chloromethyl)-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-fluoro-4-nitro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;[(2S)-oxetan-2-yl]methanamine has a molecular weight of 3163.31 g/mol, XLogP of 27.20, 43 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3-difluoro-4-nitrobenzene;3-bromo-2-fluoro-6-nitro-N-[[(2S)-oxetan-2-yl]methyl]aniline;(2-chloroacetyl) 2-chloroacetate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;methane;methyl 4-amino-2-fluoro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-(chloromethyl)-4-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-fluoro-4-nitro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;[(2S)-oxetan-2-yl]methanamine is sourced from PubChem (CID 158724862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).