About tert-butyl 4-(5-chloro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3,4-dihydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(5-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate;(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate
tert-butyl 4-(5-chloro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3,4-dihydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(5-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate;(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate (PubChem CID 158285289) has the molecular formula C144H191Cl6F3N16O23
and a molecular weight of 2783.91 g/mol. Its IUPAC name is tert-butyl 4-(5-chloro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3,4-dihydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(5-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate;(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 4-(5-chloro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3,4-dihydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(5-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate;(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate?
The IUPAC name of tert-butyl 4-(5-chloro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3,4-dihydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(5-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate;(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate (CID 158285289) is tert-butyl 4-(5-chloro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3,4-dihydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(5-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate;(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for tert-butyl 4-(5-chloro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3,4-dihydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(5-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate;(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate?
The canonical SMILES for tert-butyl 4-(5-chloro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3,4-dihydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(5-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate;(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)O[C@@H]1CNCC=C1c1ccc(F)cc1.Cc1nc(C2=CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl.Cc1nc(C2=CCN(C(=O)OC(C)(C)C)CC2)ccc1F.Cc1nc(C2=CCN(C(=O)OC(C)(C)C)C[C@@H]2OC(=O)C(C)(C)C)ccc1Cl.Cc1nc(C2=CCNC[C@@H]2O)ccc1Cl.Cc1nc(C2=CCNC[C@@H]2OC(=O)C(C)(C)C)ccc1Cl.Cc1nc([C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1Cl.Cc1nc([C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2OC(=O)C(C)(C)C)ccc1Cl.O[C@@H]1CNCC=C1c1ccc(F)cc1.
What is the InChIKey of tert-butyl 4-(5-chloro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3,4-dihydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(5-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate;(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate?
The InChIKey is GKRYWZAUYIBCQY-BEHOVAOJSA-N. The full InChI is InChI=1S/C21H31ClN2O5.C21H29ClN2O4.C16H23ClN2O4.2C16H21ClN2O2.C16H21FN2O2.C16H20FNO2.C11H13ClN2O.C11H12FNO/c1-13-14(22)8-9-15(23-13)21(27)10-11-24(18(26)29-20(5,6)7)12-16(21)28-17(25)19(2,3)4;1-13-15(22)8-9-16(23-13)14-10-11-24(19(26)28-21(5,6)7)12-17(14)27-18(25)20(2,3)4;1-10-11(17)5-6-12(18-10)16(22)7-8-19(9-13(16)20)14(21)23-15(2,3)4;1-11-13(17)5-6-14(18-11)12-7-9-19(10-8-12)15(20)21-16(2,3)4;1-10-12(17)5-6-13(19-10)11-7-8-18-9-14(11)21-15(20)16(2,3)4;1-11-13(17)5-6-14(18-11)12-7-9-19(10-8-12)15(20)21-16(2,3)4;1-16(2,3)15(19)20-14-10-18-9-8-13(14)11-4-6-12(17)7-5-11;1-7-9(12)2-3-10(14-7)8-4-5-13-6-11(8)15;12-9-3-1-8(2-4-9)10-5-6-13-7-11(10)14/h8-9,16,27H,10-12H2,1-7H3;8-10,17H,11-12H2,1-7H3;5-6,13,20,22H,7-9H2,1-4H3;5-7H,8-10H2,1-4H3;5-7,14,18H,8-9H2,1-4H3;5-7H,8-10H2,1-4H3;4-8,14,18H,9-10H2,1-3H3;2-4,11,13,15H,5-6H2,1H3;1-5,11,13-14H,6-7H2/t16-,21-;17-;13-,16-;;14-;;14-;2*11-/m000.0.101/s1.
What are the key properties of tert-butyl 4-(5-chloro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3,4-dihydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(5-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate;(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate?
tert-butyl 4-(5-chloro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3,4-dihydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(5-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate;(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate has a molecular weight of 2783.91 g/mol, XLogP of 26.64, 13 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-chloro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3,4-dihydroxypiperidine-1-carboxylate;tert-butyl (3R)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (3S,4S)-4-(5-chloro-6-methyl-2-pyridinyl)-3-(2,2-dimethylpropanoyloxy)-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(5-fluoro-6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3R)-4-(5-chloro-6-methyl-2-pyridinyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate;(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol;[(3S)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 158285289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).