About 4-[2-[(3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;benzyl (3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-methylsulfonyloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;2-bromo-1-(4-hydroxyphenyl)ethanone;2-fluoropyridin-3-ol;methanesulfonyl chloride
4-[2-[(3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;benzyl (3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-methylsulfonyloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;2-bromo-1-(4-hydroxyphenyl)ethanone;2-fluoropyridin-3-ol;methanesulfonyl chloride (PubChem CID 167617946) has the molecular formula C117H134BrClF5N11O23S2
and a molecular weight of 2336.89 g/mol. Its IUPAC name is 4-[2-[(3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;benzyl (3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-methylsulfonyloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;2-bromo-1-(4-hydroxyphenyl)ethanone;2-fluoropyridin-3-ol;methanesulfonyl chloride.
Frequently Asked Questions
What is the IUPAC name of 4-[2-[(3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;benzyl (3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-methylsulfonyloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;2-bromo-1-(4-hydroxyphenyl)ethanone;2-fluoropyridin-3-ol;methanesulfonyl chloride?
The IUPAC name of 4-[2-[(3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;benzyl (3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-methylsulfonyloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;2-bromo-1-(4-hydroxyphenyl)ethanone;2-fluoropyridin-3-ol;methanesulfonyl chloride (CID 167617946) is 4-[2-[(3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;benzyl (3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-methylsulfonyloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;2-bromo-1-(4-hydroxyphenyl)ethanone;2-fluoropyridin-3-ol;methanesulfonyl chloride.
What is the SMILES notation for 4-[2-[(3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;benzyl (3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-methylsulfonyloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;2-bromo-1-(4-hydroxyphenyl)ethanone;2-fluoropyridin-3-ol;methanesulfonyl chloride?
The canonical SMILES for 4-[2-[(3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;benzyl (3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-methylsulfonyloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;2-bromo-1-(4-hydroxyphenyl)ethanone;2-fluoropyridin-3-ol;methanesulfonyl chloride is CS(=O)(=O)Cl.CS(=O)(=O)OC1C[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2C1.Fc1ncccc1OC1C[C@H]2CNC[C@H]2C1.O=C(CBr)c1ccc(O)cc1.O=C(CN1C[C@H]2CC(Oc3cccnc3F)C[C@H]2C1)c1ccc(O)cc1.O=C(OCc1ccccc1)N1C[C@H]2CC(O)C[C@H]2C1.O=C(OCc1ccccc1)N1C[C@H]2CC(Oc3cccnc3F)C[C@H]2C1.Oc1ccc(C(O)CN2C[C@H]3CC(Oc4cccnc4F)C[C@H]3C2)cc1.Oc1cccnc1F.
What is the InChIKey of 4-[2-[(3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;benzyl (3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-methylsulfonyloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;2-bromo-1-(4-hydroxyphenyl)ethanone;2-fluoropyridin-3-ol;methanesulfonyl chloride?
The InChIKey is MAEOBKLKONBPGQ-IDLOUFTJSA-N. The full InChI is InChI=1S/C20H23FN2O3.2C20H21FN2O3.C16H21NO5S.C15H19NO3.C12H15FN2O.C8H7BrO2.C5H4FNO.CH3ClO2S/c2*21-20-19(2-1-7-22-20)26-17-8-14-10-23(11-15(14)9-17)12-18(25)13-3-5-16(24)6-4-13;21-19-18(7-4-8-22-19)26-17-9-15-11-23(12-16(15)10-17)20(24)25-13-14-5-2-1-3-6-14;1-23(19,20)22-15-7-13-9-17(10-14(13)8-15)16(18)21-11-12-5-3-2-4-6-12;17-14-6-12-8-16(9-13(12)7-14)15(18)19-10-11-4-2-1-3-5-11;13-12-11(2-1-3-15-12)16-10-4-8-6-14-7-9(8)5-10;9-5-8(11)6-1-3-7(10)4-2-6;6-5-4(8)2-1-3-7-5;1-5(2,3)4/h1-7,14-15,17-18,24-25H,8-12H2;1-7,14-15,17,24H,8-12H2;1-8,15-17H,9-13H2;2-6,13-15H,7-11H2,1H3;1-5,12-14,17H,6-10H2;1-3,8-10,14H,4-7H2;1-4,10H,5H2;1-3,8H;1H3/t14-,15+,17?,18?;14-,15+,17?;15-,16+,17?;13-,14+,15?;12-,13+,14?;8-,9+,10?;;;.
What are the key properties of 4-[2-[(3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;benzyl (3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-methylsulfonyloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;2-bromo-1-(4-hydroxyphenyl)ethanone;2-fluoropyridin-3-ol;methanesulfonyl chloride?
4-[2-[(3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;benzyl (3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-methylsulfonyloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;2-bromo-1-(4-hydroxyphenyl)ethanone;2-fluoropyridin-3-ol;methanesulfonyl chloride has a molecular weight of 2336.89 g/mol, XLogP of 18.01, 24 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;(3aS,6aR)-5-[(2-fluoro-3-pyridinyl)oxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;benzyl (3aR,6aS)-5-[(2-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;benzyl (3aS,6aR)-5-methylsulfonyloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;2-bromo-1-(4-hydroxyphenyl)ethanone;2-fluoropyridin-3-ol;methanesulfonyl chloride is sourced from PubChem (CID 167617946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).