2-chloro-5-iodo-3-(trifluoromethyl)pyridine;2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate

C84H103ClF9I2N7O19 — CID 158888526

About 2-chloro-5-iodo-3-(trifluoromethyl)pyridine;2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate

2-chloro-5-iodo-3-(trifluoromethyl)pyridine;2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate (PubChem CID 158888526) has the molecular formula C84H103ClF9I2N7O19 and a molecular weight of 1975.02 g/mol. Its IUPAC name is 2-chloro-5-iodo-3-(trifluoromethyl)pyridine;2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate.

Molecular Properties

• Compound Name: 2-chloro-5-iodo-3-(trifluoromethyl)pyridine;2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
• PubChem CID: 158888526
• Molecular Formula: C84H103ClF9I2N7O19
• Molecular Weight: 1975.02 g/mol
• Exact Mass: 1973.49
• IUPAC Name: 2-chloro-5-iodo-3-(trifluoromethyl)pyridine;2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
• SMILES: COCC(COC)N(C(=O)C1CCC(C)CC1)c1ccc(O)cc1C(=O)OC.COCC(COC)N(C(=O)C1CCC(C)CC1)c1ccc(Oc2ncc(I)cc2C(F)(F)F)cc1C(=O)OC.COCC(COC)N(C(=O)C1CCC(C)CC1)c1ccc(Oc2ncc(N3CCOCC3)cc2C(F)(F)F)cc1C(=O)O.FC(F)(F)c1cc(I)cnc1Cl
• InChI: InChI=1S/C30H38F3N3O7.C27H32F3IN2O6.C21H31NO6.C6H2ClF3IN/c1-19-4-6-20(7-5-19)28(37)36(22(17-40-2)18-41-3)26-9-8-23(15-24(26)29(38)39)43-27-25(30(31,32)33)14-21(16-34-27)35-10-12-42-13-11-35;1-16-5-7-17(8-6-16)25(34)33(19(14-36-2)15-37-3)23-10-9-20(12-21(23)26(35)38-4)39-24-22(27(28,29)30)11-18(31)13-32-24;1-14-5-7-15(8-6-14)20(24)22(16(12-26-2)13-27-3)19-10-9-17(23)11-18(19)21(25)28-4;7-5-4(6(8,9)10)1-3(11)2-12-5/h8-9,14-16,19-20,22H,4-7,10-13,17-18H2,1-3H3,(H,38,39);9-13,16-17,19H,5-8,14-15H2,1-4H3;9-11,14-16,23H,5-8,12-13H2,1-4H3;1-2H
• InChIKey: JDXSTLRHKXYGQY-UHFFFAOYSA-N
• XLogP: 17.71
• TPSA: 296.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1975.02
LogP ≤ 5	17.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodo-3-(trifluoromethyl)pyridine;2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?

The IUPAC name of 2-chloro-5-iodo-3-(trifluoromethyl)pyridine;2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate (CID 158888526) is 2-chloro-5-iodo-3-(trifluoromethyl)pyridine;2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate.

What is the SMILES notation for 2-chloro-5-iodo-3-(trifluoromethyl)pyridine;2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?

The canonical SMILES for 2-chloro-5-iodo-3-(trifluoromethyl)pyridine;2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate is COCC(COC)N(C(=O)C1CCC(C)CC1)c1ccc(O)cc1C(=O)OC.COCC(COC)N(C(=O)C1CCC(C)CC1)c1ccc(Oc2ncc(I)cc2C(F)(F)F)cc1C(=O)OC.COCC(COC)N(C(=O)C1CCC(C)CC1)c1ccc(Oc2ncc(N3CCOCC3)cc2C(F)(F)F)cc1C(=O)O.FC(F)(F)c1cc(I)cnc1Cl.

What is the InChIKey of 2-chloro-5-iodo-3-(trifluoromethyl)pyridine;2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?

The InChIKey is JDXSTLRHKXYGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F3N3O7.C27H32F3IN2O6.C21H31NO6.C6H2ClF3IN/c1-19-4-6-20(7-5-19)28(37)36(22(17-40-2)18-41-3)26-9-8-23(15-24(26)29(38)39)43-27-25(30(31,32)33)14-21(16-34-27)35-10-12-42-13-11-35;1-16-5-7-17(8-6-16)25(34)33(19(14-36-2)15-37-3)23-10-9-20(12-21(23)26(35)38-4)39-24-22(27(28,29)30)11-18(31)13-32-24;1-14-5-7-15(8-6-14)20(24)22(16(12-26-2)13-27-3)19-10-9-17(23)11-18(19)21(25)28-4;7-5-4(6(8,9)10)1-3(11)2-12-5/h8-9,14-16,19-20,22H,4-7,10-13,17-18H2,1-3H3,(H,38,39);9-13,16-17,19H,5-8,14-15H2,1-4H3;9-11,14-16,23H,5-8,12-13H2,1-4H3;1-2H.

What are the key properties of 2-chloro-5-iodo-3-(trifluoromethyl)pyridine;2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate?

2-chloro-5-iodo-3-(trifluoromethyl)pyridine;2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate has a molecular weight of 1975.02 g/mol, XLogP of 17.71, 29 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-iodo-3-(trifluoromethyl)pyridine;2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-hydroxybenzoate;methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate is sourced from PubChem (CID 158888526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).