4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-(2-isocyano-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine

C85H107BCl4F3I2N15O9 — CID 167565493

About 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-(2-isocyano-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine

4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-(2-isocyano-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine (PubChem CID 167565493) has the molecular formula C85H107BCl4F3I2N15O9 and a molecular weight of 1946.31 g/mol. Its IUPAC name is 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-(2-isocyano-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine.

Molecular Properties

• Compound Name: 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-(2-isocyano-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine
• PubChem CID: 167565493
• Molecular Formula: C85H107BCl4F3I2N15O9
• Molecular Weight: 1946.31 g/mol
• Exact Mass: 1943.53
• IUPAC Name: 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-(2-isocyano-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine
• SMILES: C1COCCN1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(Cl)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(I)cc(Cl)n1.Clc1cc(I)cc(N2CCOCC2)n1.[C-]#[N+]c1cc(-c2cc(NC(=O)N3CC[C@@H](CC)C3)ccc2C)cc(N2CCOCC2)n1
• InChI: InChI=1S/C24H29N5O2.C23H29ClN4O2.C20H28BF3N2O3.C9H10ClIN2O.C5H2Cl2IN.C4H9NO/c1-4-18-7-8-29(16-18)24(30)26-20-6-5-17(2)21(15-20)19-13-22(25-3)27-23(14-19)28-9-11-31-12-10-28;1-3-17-6-7-28(15-17)23(29)25-19-5-4-16(2)20(14-19)18-12-21(24)26-22(13-18)27-8-10-30-11-9-27;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;6-4-1-3(8)2-5(7)9-4;1-3-6-4-2-5-1/h5-6,13-15,18H,4,7-12,16H2,1-2H3,(H,26,30);4-5,12-14,17H,3,6-11,15H2,1-2H3,(H,25,29);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-6H,1-4H2;1-2H;5H,1-4H2/t18-;17-;14-;;;/m110.../s1
• InChIKey: FFNZLPBUHXZPFS-SNUPCRASSA-N
• XLogP: 18.39
• TPSA: 230.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1946.31
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-(2-isocyano-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine?

The IUPAC name of 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-(2-isocyano-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine (CID 167565493) is 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-(2-isocyano-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine.

What is the SMILES notation for 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-(2-isocyano-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine?

The canonical SMILES for 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-(2-isocyano-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine is C1COCCN1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(Cl)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(I)cc(Cl)n1.Clc1cc(I)cc(N2CCOCC2)n1.[C-]#[N+]c1cc(-c2cc(NC(=O)N3CC[C@@H](CC)C3)ccc2C)cc(N2CCOCC2)n1.

What is the InChIKey of 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-(2-isocyano-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine?

The InChIKey is FFNZLPBUHXZPFS-SNUPCRASSA-N. The full InChI is InChI=1S/C24H29N5O2.C23H29ClN4O2.C20H28BF3N2O3.C9H10ClIN2O.C5H2Cl2IN.C4H9NO/c1-4-18-7-8-29(16-18)24(30)26-20-6-5-17(2)21(15-20)19-13-22(25-3)27-23(14-19)28-9-11-31-12-10-28;1-3-17-6-7-28(15-17)23(29)25-19-5-4-16(2)20(14-19)18-12-21(24)26-22(13-18)27-8-10-30-11-9-27;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;6-4-1-3(8)2-5(7)9-4;1-3-6-4-2-5-1/h5-6,13-15,18H,4,7-12,16H2,1-2H3,(H,26,30);4-5,12-14,17H,3,6-11,15H2,1-2H3,(H,25,29);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-6H,1-4H2;1-2H;5H,1-4H2/t18-;17-;14-;;;/m110.../s1.

What are the key properties of 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-(2-isocyano-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine?

4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-(2-isocyano-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine has a molecular weight of 1946.31 g/mol, XLogP of 18.39, 12 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;(3R)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-(2-isocyano-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine is sourced from PubChem (CID 167565493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).