2-chloro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;bis((3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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

C88H107BClF15I2N14O9 — CID 165061187

About 2-chloro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;bis((3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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

2-chloro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;bis((3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 165061187) has the molecular formula C88H107BClF15I2N14O9 and a molecular weight of 2089.96 g/mol. Its IUPAC name is 2-chloro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;bis((3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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: 2-chloro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;bis((3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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: 165061187
• Molecular Formula: C88H107BClF15I2N14O9
• Molecular Weight: 2089.96 g/mol
• Exact Mass: 2088.60
• IUPAC Name: 2-chloro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;bis((3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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.Cc1cc(I)cc(Cl)n1.Cc1cc(I)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(C(F)(F)F)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(C(F)(F)F)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/2C24H26F6N4O2.C20H28BF3N2O3.C10H13IN2O.C6H5ClIN.C4H9NO/c2*1-15-2-3-18(31-22(35)34-5-4-16(14-34)13-23(25,26)27)12-19(15)17-10-20(24(28,29)30)32-21(11-17)33-6-8-36-9-7-33;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;1-8-6-9(11)7-10(12-8)13-2-4-14-5-3-13;1-4-2-5(8)3-6(7)9-4;1-3-6-4-2-5-1/h2*2-3,10-12,16H,4-9,13-14H2,1H3,(H,31,35);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);6-7H,2-5H2,1H3;2-3H,1H3;5H,1-4H2/t2*16-;14-;;;/m000.../s1
• InChIKey: RFRUWQKJDFPOPD-XSAXZOTNSA-N
• XLogP: 19.62
• TPSA: 225.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2089.96
LogP ≤ 5	19.62
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;bis((3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 2-chloro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;bis((3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 165061187) is 2-chloro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;bis((3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 2-chloro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;bis((3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 2-chloro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;bis((3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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.Cc1cc(I)cc(Cl)n1.Cc1cc(I)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(C(F)(F)F)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(C(F)(F)F)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 2-chloro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;bis((3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 RFRUWQKJDFPOPD-XSAXZOTNSA-N. The full InChI is InChI=1S/2C24H26F6N4O2.C20H28BF3N2O3.C10H13IN2O.C6H5ClIN.C4H9NO/c2*1-15-2-3-18(31-22(35)34-5-4-16(14-34)13-23(25,26)27)12-19(15)17-10-20(24(28,29)30)32-21(11-17)33-6-8-36-9-7-33;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;1-8-6-9(11)7-10(12-8)13-2-4-14-5-3-13;1-4-2-5(8)3-6(7)9-4;1-3-6-4-2-5-1/h2*2-3,10-12,16H,4-9,13-14H2,1H3,(H,31,35);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);6-7H,2-5H2,1H3;2-3H,1H3;5H,1-4H2/t2*16-;14-;;;/m000.../s1.

What are the key properties of 2-chloro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;bis((3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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?

2-chloro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;bis((3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 2089.96 g/mol, XLogP of 19.62, 12 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;bis((3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)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 165061187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).