About 4-bromo-5-[[di(propan-2-yl)amino]methyl]-2-fluorophenol;2-bromo-4-fluoro-5-hydroxybenzaldehyde;2-bromo-4-fluoro-5-methoxybenzaldehyde;(2S,3R)-3-cyclopropyl-3-[3-[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenoxy]carbonylphenyl]-2-methylpropanoic acid;3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;2,4-dimethylpentane;5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenol;[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl] 3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;4-fluoro-3-methoxybenzaldehyde;(2-methoxy-4-pyridinyl)boronic acid;molecular bromine;2,2,2-trifluoroacetaldehyde;hydrobromide
4-bromo-5-[[di(propan-2-yl)amino]methyl]-2-fluorophenol;2-bromo-4-fluoro-5-hydroxybenzaldehyde;2-bromo-4-fluoro-5-methoxybenzaldehyde;(2S,3R)-3-cyclopropyl-3-[3-[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenoxy]carbonylphenyl]-2-methylpropanoic acid;3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;2,4-dimethylpentane;5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenol;[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl] 3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;4-fluoro-3-methoxybenzaldehyde;(2-methoxy-4-pyridinyl)boronic acid;molecular bromine;2,2,2-trifluoroacetaldehyde;hydrobromide (PubChem CID 165107907) has the molecular formula C158H197BBr6F10N8O27
and a molecular weight of 3320.56 g/mol. Its IUPAC name is 4-bromo-5-[[di(propan-2-yl)amino]methyl]-2-fluorophenol;2-bromo-4-fluoro-5-hydroxybenzaldehyde;2-bromo-4-fluoro-5-methoxybenzaldehyde;(2S,3R)-3-cyclopropyl-3-[3-[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenoxy]carbonylphenyl]-2-methylpropanoic acid;3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;2,4-dimethylpentane;5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenol;[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl] 3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;4-fluoro-3-methoxybenzaldehyde;(2-methoxy-4-pyridinyl)boronic acid;molecular bromine;2,2,2-trifluoroacetaldehyde;hydrobromide.
Frequently Asked Questions
What is the IUPAC name of 4-bromo-5-[[di(propan-2-yl)amino]methyl]-2-fluorophenol;2-bromo-4-fluoro-5-hydroxybenzaldehyde;2-bromo-4-fluoro-5-methoxybenzaldehyde;(2S,3R)-3-cyclopropyl-3-[3-[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenoxy]carbonylphenyl]-2-methylpropanoic acid;3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;2,4-dimethylpentane;5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenol;[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl] 3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;4-fluoro-3-methoxybenzaldehyde;(2-methoxy-4-pyridinyl)boronic acid;molecular bromine;2,2,2-trifluoroacetaldehyde;hydrobromide?
The IUPAC name of 4-bromo-5-[[di(propan-2-yl)amino]methyl]-2-fluorophenol;2-bromo-4-fluoro-5-hydroxybenzaldehyde;2-bromo-4-fluoro-5-methoxybenzaldehyde;(2S,3R)-3-cyclopropyl-3-[3-[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenoxy]carbonylphenyl]-2-methylpropanoic acid;3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;2,4-dimethylpentane;5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenol;[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl] 3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;4-fluoro-3-methoxybenzaldehyde;(2-methoxy-4-pyridinyl)boronic acid;molecular bromine;2,2,2-trifluoroacetaldehyde;hydrobromide (CID 165107907) is 4-bromo-5-[[di(propan-2-yl)amino]methyl]-2-fluorophenol;2-bromo-4-fluoro-5-hydroxybenzaldehyde;2-bromo-4-fluoro-5-methoxybenzaldehyde;(2S,3R)-3-cyclopropyl-3-[3-[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenoxy]carbonylphenyl]-2-methylpropanoic acid;3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;2,4-dimethylpentane;5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenol;[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl] 3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;4-fluoro-3-methoxybenzaldehyde;(2-methoxy-4-pyridinyl)boronic acid;molecular bromine;2,2,2-trifluoroacetaldehyde;hydrobromide.
What is the SMILES notation for 4-bromo-5-[[di(propan-2-yl)amino]methyl]-2-fluorophenol;2-bromo-4-fluoro-5-hydroxybenzaldehyde;2-bromo-4-fluoro-5-methoxybenzaldehyde;(2S,3R)-3-cyclopropyl-3-[3-[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenoxy]carbonylphenyl]-2-methylpropanoic acid;3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;2,4-dimethylpentane;5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenol;[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl] 3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;4-fluoro-3-methoxybenzaldehyde;(2-methoxy-4-pyridinyl)boronic acid;molecular bromine;2,2,2-trifluoroacetaldehyde;hydrobromide?
The canonical SMILES for 4-bromo-5-[[di(propan-2-yl)amino]methyl]-2-fluorophenol;2-bromo-4-fluoro-5-hydroxybenzaldehyde;2-bromo-4-fluoro-5-methoxybenzaldehyde;(2S,3R)-3-cyclopropyl-3-[3-[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenoxy]carbonylphenyl]-2-methylpropanoic acid;3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;2,4-dimethylpentane;5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenol;[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl] 3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;4-fluoro-3-methoxybenzaldehyde;(2-methoxy-4-pyridinyl)boronic acid;molecular bromine;2,2,2-trifluoroacetaldehyde;hydrobromide is Br.BrBr.CC(C)CC(C)C.CC(C)N(Cc1cc(O)c(F)cc1Br)C(C)C.COc1cc(-c2cc(F)c(O)cc2CN(C(C)C)C(C)C)ccn1.COc1cc(-c2cc(F)c(OC(=O)c3cccc([C@H](C4CC4)[C@H](C)C(=O)O)c3)cc2CN(C(C)C)C(C)C)ccn1.COc1cc(-c2cc(F)c(OC(=O)c3cccc([C@H](C4CC4)[C@H](C)C(=O)OC(C)(C)C)c3)cc2CN(C(C)C)C(C)C)ccn1.COc1cc(B(O)O)ccn1.COc1cc(C=O)c(Br)cc1F.COc1cc(C=O)ccc1F.C[C@H](C(=O)OC(C)(C)C)[C@H](c1cccc(C(=O)O)c1)C1CC1.O=CC(F)(F)F.O=Cc1cc(O)c(F)cc1Br.
What is the InChIKey of 4-bromo-5-[[di(propan-2-yl)amino]methyl]-2-fluorophenol;2-bromo-4-fluoro-5-hydroxybenzaldehyde;2-bromo-4-fluoro-5-methoxybenzaldehyde;(2S,3R)-3-cyclopropyl-3-[3-[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenoxy]carbonylphenyl]-2-methylpropanoic acid;3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;2,4-dimethylpentane;5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenol;[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl] 3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;4-fluoro-3-methoxybenzaldehyde;(2-methoxy-4-pyridinyl)boronic acid;molecular bromine;2,2,2-trifluoroacetaldehyde;hydrobromide?
The InChIKey is YRULDYNBYVDRJR-WRQBEDEFSA-N. The full InChI is InChI=1S/C37H47FN2O5.C33H39FN2O5.C19H25FN2O2.C18H24O4.C13H19BrFNO.C8H6BrFO2.C8H7FO2.C7H4BrFO2.C7H16.C6H8BNO3.C2HF3O.Br2.BrH/c1-22(2)40(23(3)4)21-29-18-32(31(38)20-30(29)26-15-16-39-33(19-26)43-9)44-36(42)28-12-10-11-27(17-28)34(25-13-14-25)24(5)35(41)45-37(6,7)8;1-19(2)36(20(3)4)18-26-15-29(28(34)17-27(26)23-12-13-35-30(16-23)40-6)41-33(39)25-9-7-8-24(14-25)31(22-10-11-22)21(5)32(37)38;1-12(2)22(13(3)4)11-15-8-18(23)17(20)10-16(15)14-6-7-21-19(9-14)24-5;1-11(17(21)22-18(2,3)4)15(12-8-9-12)13-6-5-7-14(10-13)16(19)20;1-8(2)16(9(3)4)7-10-5-13(17)12(15)6-11(10)14;1-12-8-2-5(4-11)6(9)3-7(8)10;1-11-8-4-6(5-10)2-3-7(8)9;8-5-2-6(9)7(11)1-4(5)3-10;1-6(2)5-7(3)4;1-11-6-4-5(7(9)10)2-3-8-6;3-2(4,5)1-6;1-2;/h10-12,15-20,22-25,34H,13-14,21H2,1-9H3;7-9,12-17,19-22,31H,10-11,18H2,1-6H3,(H,37,38);6-10,12-13,23H,11H2,1-5H3;5-7,10-12,15H,8-9H2,1-4H3,(H,19,20);5-6,8-9,17H,7H2,1-4H3;2-4H,1H3;2-5H,1H3;1-3,11H;6-7H,5H2,1-4H3;2-4,9-10H,1H3;1H;;1H/t24-,34-;21-,31-;;11-,15-;;;;;;;;;/m00.0........./s1.
What are the key properties of 4-bromo-5-[[di(propan-2-yl)amino]methyl]-2-fluorophenol;2-bromo-4-fluoro-5-hydroxybenzaldehyde;2-bromo-4-fluoro-5-methoxybenzaldehyde;(2S,3R)-3-cyclopropyl-3-[3-[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenoxy]carbonylphenyl]-2-methylpropanoic acid;3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;2,4-dimethylpentane;5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenol;[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl] 3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;4-fluoro-3-methoxybenzaldehyde;(2-methoxy-4-pyridinyl)boronic acid;molecular bromine;2,2,2-trifluoroacetaldehyde;hydrobromide?
4-bromo-5-[[di(propan-2-yl)amino]methyl]-2-fluorophenol;2-bromo-4-fluoro-5-hydroxybenzaldehyde;2-bromo-4-fluoro-5-methoxybenzaldehyde;(2S,3R)-3-cyclopropyl-3-[3-[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenoxy]carbonylphenyl]-2-methylpropanoic acid;3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;2,4-dimethylpentane;5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenol;[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl] 3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;4-fluoro-3-methoxybenzaldehyde;(2-methoxy-4-pyridinyl)boronic acid;molecular bromine;2,2,2-trifluoroacetaldehyde;hydrobromide has a molecular weight of 3320.56 g/mol, XLogP of 37.78, 48 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[[di(propan-2-yl)amino]methyl]-2-fluorophenol;2-bromo-4-fluoro-5-hydroxybenzaldehyde;2-bromo-4-fluoro-5-methoxybenzaldehyde;(2S,3R)-3-cyclopropyl-3-[3-[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenoxy]carbonylphenyl]-2-methylpropanoic acid;3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid;2,4-dimethylpentane;5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenol;[5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl] 3-[(1R,2S)-1-cyclopropyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate;4-fluoro-3-methoxybenzaldehyde;(2-methoxy-4-pyridinyl)boronic acid;molecular bromine;2,2,2-trifluoroacetaldehyde;hydrobromide is sourced from PubChem (CID 165107907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).