4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-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;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane

C100H140B2Cl5F3N14O14 — CID 167546179

About 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-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;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane

4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-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;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane (PubChem CID 167546179) has the molecular formula C100H140B2Cl5F3N14O14 and a molecular weight of 2018.19 g/mol. Its IUPAC name is 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-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;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-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;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane
• PubChem CID: 167546179
• Molecular Formula: C100H140B2Cl5F3N14O14
• Molecular Weight: 2018.19 g/mol
• Exact Mass: 2014.93
• IUPAC Name: 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-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;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane
• SMILES: C/C=C/B1OC(C)(C)C(C)(C)O1.C/C=C/c1cc(Cl)cc(N2CCOCC2)n1.CCOC(C)Cc1cc(Cl)cc(N2CCOCC2)n1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(CCO)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(Cl)nc(N2CCOCC2)c1.OCCc1cc(Cl)cc(N2CCOCC2)n1
• InChI: InChI=1S/C25H34N4O3.C20H28BF3N2O3.C14H21ClN2O2.C12H15ClN2O.C11H15ClN2O2.C9H17BO2.C9H10Cl2N2O/c1-3-19-6-8-29(17-19)25(31)27-21-5-4-18(2)23(16-21)20-14-22(7-11-30)26-24(15-20)28-9-12-32-13-10-28;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;1-3-19-11(2)8-13-9-12(15)10-14(16-13)17-4-6-18-7-5-17;1-2-3-11-8-10(13)9-12(14-11)15-4-6-16-7-5-15;12-9-7-10(1-4-15)13-11(8-9)14-2-5-16-6-3-14;1-6-7-10-11-8(2,3)9(4,5)12-10;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13/h4-5,14-16,19,30H,3,6-13,17H2,1-2H3,(H,27,31);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);9-11H,3-8H2,1-2H3;2-3,8-9H,4-7H2,1H3;7-8,15H,1-6H2;6-7H,1-5H3;5-6H,1-4H2/b;;;3-2+;;7-6+;/t19-;14-;;;;;/m10...../s1
• InChIKey: BUYIAWZLWOXWAA-FAEHRLHDSA-N
• XLogP: 18.46
• TPSA: 278.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2018.19
LogP ≤ 5	18.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-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;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane?

The IUPAC name of 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-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;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane (CID 167546179) is 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-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;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane.

What is the SMILES notation for 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-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;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane?

The canonical SMILES for 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-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;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane is C/C=C/B1OC(C)(C)C(C)(C)O1.C/C=C/c1cc(Cl)cc(N2CCOCC2)n1.CCOC(C)Cc1cc(Cl)cc(N2CCOCC2)n1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(CCO)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(Cl)nc(N2CCOCC2)c1.OCCc1cc(Cl)cc(N2CCOCC2)n1.

What is the InChIKey of 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-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;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane?

The InChIKey is BUYIAWZLWOXWAA-FAEHRLHDSA-N. The full InChI is InChI=1S/C25H34N4O3.C20H28BF3N2O3.C14H21ClN2O2.C12H15ClN2O.C11H15ClN2O2.C9H17BO2.C9H10Cl2N2O/c1-3-19-6-8-29(17-19)25(31)27-21-5-4-18(2)23(16-21)20-14-22(7-11-30)26-24(15-20)28-9-12-32-13-10-28;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;1-3-19-11(2)8-13-9-12(15)10-14(16-13)17-4-6-18-7-5-17;1-2-3-11-8-10(13)9-12(14-11)15-4-6-16-7-5-15;12-9-7-10(1-4-15)13-11(8-9)14-2-5-16-6-3-14;1-6-7-10-11-8(2,3)9(4,5)12-10;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13/h4-5,14-16,19,30H,3,6-13,17H2,1-2H3,(H,27,31);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);9-11H,3-8H2,1-2H3;2-3,8-9H,4-7H2,1H3;7-8,15H,1-6H2;6-7H,1-5H3;5-6H,1-4H2/b;;;3-2+;;7-6+;/t19-;14-;;;;;/m10...../s1.

What are the key properties of 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-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;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane?

4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-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;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane has a molecular weight of 2018.19 g/mol, XLogP of 18.46, 21 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-6-(2-ethoxypropyl)-2-pyridinyl]morpholine;2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanol;4-[4-chloro-6-[(E)-prop-1-enyl]-2-pyridinyl]morpholine;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-3-ethyl-N-[3-[2-(2-hydroxyethyl)-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;4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 167546179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).