4-[6-chloro-4-(iodomethyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(methylsulfonylmethyl)-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methanol;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methyl methanesulfonate;methane;methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

C105H131BCl8F6IN19O23S4 — CID 158435641

About 4-[6-chloro-4-(iodomethyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(methylsulfonylmethyl)-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methanol;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methyl methanesulfonate;methane;methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

4-[6-chloro-4-(iodomethyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(methylsulfonylmethyl)-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methanol;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methyl methanesulfonate;methane;methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 158435641) has the molecular formula C105H131BCl8F6IN19O23S4 and a molecular weight of 2690.91 g/mol. Its IUPAC name is 4-[6-chloro-4-(iodomethyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(methylsulfonylmethyl)-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methanol;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methyl methanesulfonate;methane;methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-[6-chloro-4-(iodomethyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(methylsulfonylmethyl)-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methanol;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methyl methanesulfonate;methane;methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 158435641
• Molecular Formula: C105H131BCl8F6IN19O23S4
• Molecular Weight: 2690.91 g/mol
• Exact Mass: 2685.51
• IUPAC Name: 4-[6-chloro-4-(iodomethyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(methylsulfonylmethyl)-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methanol;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methyl methanesulfonate;methane;methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
• SMILES: C.CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.COC(=O)c1cc(Cl)nc(Cl)c1.COC(=O)c1cc(Cl)nc(N2CCOCC2)c1.CS(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)c2)CC1.CS(=O)(=O)C1(c2cc(Cl)nc(N3CCOCC3)c2)CC1.CS(=O)(=O)Cc1cc(Cl)nc(N2CCOCC2)c1.CS(=O)(=O)OCc1cc(Cl)nc(N2CCOCC2)c1.Clc1cc(CI)cc(N2CCOCC2)n1.OCc1cc(Cl)nc(N2CCOCC2)c1
• InChI: InChI=1S/C19H21F3N4O3S.C13H17ClN2O3S.C12H16BF3N2O2.C11H15ClN2O4S.C11H15ClN2O3S.C11H13ClN2O3.C10H12ClIN2O.C10H13ClN2O2.C7H5Cl2NO2.CH4/c1-30(27,28)18(2-3-18)12-8-15(25-17(9-12)26-4-6-29-7-5-26)13-11-24-16(23)10-14(13)19(20,21)22;1-20(17,18)13(2-3-13)10-8-11(14)15-12(9-10)16-4-6-19-7-5-16;1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16;1-19(15,16)18-8-9-6-10(12)13-11(7-9)14-2-4-17-5-3-14;1-18(15,16)8-9-6-10(12)13-11(7-9)14-2-4-17-5-3-14;1-16-11(15)8-6-9(12)13-10(7-8)14-2-4-17-5-3-14;11-9-5-8(7-12)6-10(13-9)14-1-3-15-4-2-14;11-9-5-8(7-14)6-10(12-9)13-1-3-15-4-2-13;1-12-7(11)4-2-5(8)10-6(9)3-4;/h8-11H,2-7H2,1H3,(H2,23,24);8-9H,2-7H2,1H3;5-6H,1-4H3,(H2,17,18);6-7H,2-5,8H2,1H3;6-7H,2-5,8H2,1H3;6-7H,2-5H2,1H3;5-6H,1-4,7H2;5-6,14H,1-4,7H2;2-3H,1H3;1H4
• InChIKey: HCENYCIRRVXQHW-UHFFFAOYSA-N
• XLogP: 16.11
• TPSA: 505.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 42
• Rotatable Bonds: 22
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2690.91
LogP ≤ 5	16.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-4-(iodomethyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(methylsulfonylmethyl)-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methanol;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methyl methanesulfonate;methane;methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 4-[6-chloro-4-(iodomethyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(methylsulfonylmethyl)-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methanol;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methyl methanesulfonate;methane;methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 158435641) is 4-[6-chloro-4-(iodomethyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(methylsulfonylmethyl)-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methanol;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methyl methanesulfonate;methane;methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 4-[6-chloro-4-(iodomethyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(methylsulfonylmethyl)-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methanol;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methyl methanesulfonate;methane;methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 4-[6-chloro-4-(iodomethyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(methylsulfonylmethyl)-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methanol;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methyl methanesulfonate;methane;methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is C.CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.COC(=O)c1cc(Cl)nc(Cl)c1.COC(=O)c1cc(Cl)nc(N2CCOCC2)c1.CS(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)c2)CC1.CS(=O)(=O)C1(c2cc(Cl)nc(N3CCOCC3)c2)CC1.CS(=O)(=O)Cc1cc(Cl)nc(N2CCOCC2)c1.CS(=O)(=O)OCc1cc(Cl)nc(N2CCOCC2)c1.Clc1cc(CI)cc(N2CCOCC2)n1.OCc1cc(Cl)nc(N2CCOCC2)c1.

What is the InChIKey of 4-[6-chloro-4-(iodomethyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(methylsulfonylmethyl)-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methanol;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methyl methanesulfonate;methane;methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

The InChIKey is HCENYCIRRVXQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3S.C13H17ClN2O3S.C12H16BF3N2O2.C11H15ClN2O4S.C11H15ClN2O3S.C11H13ClN2O3.C10H12ClIN2O.C10H13ClN2O2.C7H5Cl2NO2.CH4/c1-30(27,28)18(2-3-18)12-8-15(25-17(9-12)26-4-6-29-7-5-26)13-11-24-16(23)10-14(13)19(20,21)22;1-20(17,18)13(2-3-13)10-8-11(14)15-12(9-10)16-4-6-19-7-5-16;1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16;1-19(15,16)18-8-9-6-10(12)13-11(7-9)14-2-4-17-5-3-14;1-18(15,16)8-9-6-10(12)13-11(7-9)14-2-4-17-5-3-14;1-16-11(15)8-6-9(12)13-10(7-8)14-2-4-17-5-3-14;11-9-5-8(7-12)6-10(13-9)14-1-3-15-4-2-14;11-9-5-8(7-14)6-10(12-9)13-1-3-15-4-2-13;1-12-7(11)4-2-5(8)10-6(9)3-4;/h8-11H,2-7H2,1H3,(H2,23,24);8-9H,2-7H2,1H3;5-6H,1-4H3,(H2,17,18);6-7H,2-5,8H2,1H3;6-7H,2-5,8H2,1H3;6-7H,2-5H2,1H3;5-6H,1-4,7H2;5-6,14H,1-4,7H2;2-3H,1H3;1H4.

What are the key properties of 4-[6-chloro-4-(iodomethyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(methylsulfonylmethyl)-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methanol;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methyl methanesulfonate;methane;methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

4-[6-chloro-4-(iodomethyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(methylsulfonylmethyl)-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methanol;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methyl methanesulfonate;methane;methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 2690.91 g/mol, XLogP of 16.11, 22 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-chloro-4-(iodomethyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]morpholine;4-[6-chloro-4-(methylsulfonylmethyl)-2-pyridinyl]morpholine;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methanol;(2-chloro-6-morpholin-4-yl-4-pyridinyl)methyl methanesulfonate;methane;methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 158435641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).