About 4-bromo-2-isocyano-1H-pyrrole;4-bromo-1H-pyrrole-2-carbaldehyde;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[[4-(5-isocyano-1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
4-bromo-2-isocyano-1H-pyrrole;4-bromo-1H-pyrrole-2-carbaldehyde;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[[4-(5-isocyano-1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 158396116) has the molecular formula C123H163B3Br3N25O17S3Si4
and a molecular weight of 2744.51 g/mol. Its IUPAC name is 4-bromo-2-isocyano-1H-pyrrole;4-bromo-1H-pyrrole-2-carbaldehyde;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[[4-(5-isocyano-1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
Frequently Asked Questions
What is the IUPAC name of 4-bromo-2-isocyano-1H-pyrrole;4-bromo-1H-pyrrole-2-carbaldehyde;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[[4-(5-isocyano-1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of 4-bromo-2-isocyano-1H-pyrrole;4-bromo-1H-pyrrole-2-carbaldehyde;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[[4-(5-isocyano-1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 158396116) is 4-bromo-2-isocyano-1H-pyrrole;4-bromo-1H-pyrrole-2-carbaldehyde;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[[4-(5-isocyano-1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for 4-bromo-2-isocyano-1H-pyrrole;4-bromo-1H-pyrrole-2-carbaldehyde;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[[4-(5-isocyano-1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for 4-bromo-2-isocyano-1H-pyrrole;4-bromo-1H-pyrrole-2-carbaldehyde;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[[4-(5-isocyano-1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccnc3c2ccn3COCC[Si](C)(C)C)OC1(C)C.CCS(=O)(=O)N1CC(=CC#N)C1.C[Si](C)(C)CCOCn1ccc2c(Br)ccnc21.O=Cc1cc(Br)c[nH]1.[C-]#[N+]c1cc(-c2ccnc3[nH]ccc23)cn1C1(CC#N)CN(S(=O)(=O)CC)C1.[C-]#[N+]c1cc(-c2ccnc3c2ccn3COCC[Si](C)(C)C)c[nH]1.[C-]#[N+]c1cc(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cn1C1(CC#N)CN(S(=O)(=O)CC)C1.[C-]#[N+]c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-2-isocyano-1H-pyrrole;4-bromo-1H-pyrrole-2-carbaldehyde;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[[4-(5-isocyano-1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is GXOHOFGSFFLCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3SSi.C19H31BN2O3Si.C19H18N6O2S.C18H22N4OSi.C13H19BrN2OSi.C12H24B2O4.C7H10N2O2S.C5H3BrN2.C5H4BrNO/c1-6-35(32,33)30-17-25(18-30,9-10-26)31-16-20(15-23(31)27-2)21-7-11-28-24-22(21)8-12-29(24)19-34-13-14-36(3,4)5;1-18(2)19(3,4)25-20(24-18)16-8-10-21-17-15(16)9-11-22(17)14-23-12-13-26(5,6)7;1-3-28(26,27)24-12-19(13-24,6-7-20)25-11-14(10-17(25)21-2)15-4-8-22-18-16(15)5-9-23-18;1-19-17-11-14(12-21-17)15-5-7-20-18-16(15)6-8-22(18)13-23-9-10-24(2,3)4;1-18(2,3)9-8-17-10-16-7-5-11-12(14)4-6-15-13(11)16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-12(10,11)9-5-7(6-9)3-4-8;1-7-5-2-4(6)3-8-5;6-4-1-5(3-8)7-2-4/h7-8,11-12,15-16H,6,9,13-14,17-19H2,1,3-5H3;8-11H,12-14H2,1-7H3;4-5,8-11H,3,6,12-13H2,1H3,(H,22,23);5-8,11-12,21H,9-10,13H2,2-4H3;4-7H,8-10H2,1-3H3;1-8H3;3H,2,5-6H2,1H3;2-3,8H;1-3,7H.
What are the key properties of 4-bromo-2-isocyano-1H-pyrrole;4-bromo-1H-pyrrole-2-carbaldehyde;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[[4-(5-isocyano-1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
4-bromo-2-isocyano-1H-pyrrole;4-bromo-1H-pyrrole-2-carbaldehyde;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[[4-(5-isocyano-1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 2744.51 g/mol, XLogP of 26.42, 36 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-isocyano-1H-pyrrole;4-bromo-1H-pyrrole-2-carbaldehyde;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[2-isocyano-4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyrrol-1-yl]azetidin-3-yl]acetonitrile;2-[[4-(5-isocyano-1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 158396116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).