tert-butyl 4-[6-[2-(4-chloro-2-fluorophenyl)ethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-6-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]pyridine;2-chloro-6-[2-(4-chloro-2-fluorophenyl)ethyl]pyridine;2-chloro-6-ethenylpyridine;4-chloro-2-fluoro-1-iodobenzene;2-[2-(4-chloro-2-fluorophenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2-chloro-6-iodopyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C126H138B2Cl10F5I2N11O11 — CID 160519057

About tert-butyl 4-[6-[2-(4-chloro-2-fluorophenyl)ethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-6-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]pyridine;2-chloro-6-[2-(4-chloro-2-fluorophenyl)ethyl]pyridine;2-chloro-6-ethenylpyridine;4-chloro-2-fluoro-1-iodobenzene;2-[2-(4-chloro-2-fluorophenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2-chloro-6-iodopyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

tert-butyl 4-[6-[2-(4-chloro-2-fluorophenyl)ethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-6-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]pyridine;2-chloro-6-[2-(4-chloro-2-fluorophenyl)ethyl]pyridine;2-chloro-6-ethenylpyridine;4-chloro-2-fluoro-1-iodobenzene;2-[2-(4-chloro-2-fluorophenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2-chloro-6-iodopyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 160519057) has the molecular formula C126H138B2Cl10F5I2N11O11 and a molecular weight of 2707.51 g/mol. Its IUPAC name is tert-butyl 4-[6-[2-(4-chloro-2-fluorophenyl)ethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-6-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]pyridine;2-chloro-6-[2-(4-chloro-2-fluorophenyl)ethyl]pyridine;2-chloro-6-ethenylpyridine;4-chloro-2-fluoro-1-iodobenzene;2-[2-(4-chloro-2-fluorophenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2-chloro-6-iodopyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: tert-butyl 4-[6-[2-(4-chloro-2-fluorophenyl)ethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-6-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]pyridine;2-chloro-6-[2-(4-chloro-2-fluorophenyl)ethyl]pyridine;2-chloro-6-ethenylpyridine;4-chloro-2-fluoro-1-iodobenzene;2-[2-(4-chloro-2-fluorophenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2-chloro-6-iodopyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 160519057
• Molecular Formula: C126H138B2Cl10F5I2N11O11
• Molecular Weight: 2707.51 g/mol
• Exact Mass: 2701.57
• IUPAC Name: tert-butyl 4-[6-[2-(4-chloro-2-fluorophenyl)ethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-6-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]pyridine;2-chloro-6-[2-(4-chloro-2-fluorophenyl)ethyl]pyridine;2-chloro-6-ethenylpyridine;4-chloro-2-fluoro-1-iodobenzene;2-[2-(4-chloro-2-fluorophenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2-chloro-6-iodopyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: C=CB1OC(C)(C)C(C)(C)O1.C=Cc1cccc(Cl)n1.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cccc(CCc3ccc(Cl)cc3F)n2)CC1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1.Clc1cccc(I)n1.Fc1cc(Cl)ccc1/C=C/c1cccc(Cl)n1.Fc1cc(Cl)ccc1CCc1cccc(C2=CCNCC2)n1.Fc1cc(Cl)ccc1CCc1cccc(Cl)n1.Fc1cc(Cl)ccc1I
• InChI: InChI=1S/C23H26ClFN2O2.C18H18ClFN2.C17H21ClN2O3.C16H28BNO4.C13H10Cl2FN.C13H8Cl2FN.C8H15BO2.C7H6ClN.C6H3ClFI.C5H3ClIN/c1-23(2,3)29-22(28)27-13-11-17(12-14-27)21-6-4-5-19(26-21)10-8-16-7-9-18(24)15-20(16)25;19-15-6-4-13(17(20)12-15)5-7-16-2-1-3-18(22-16)14-8-10-21-11-9-14;1-17(2,3)23-16(21)11-4-5-13-14(8-11)20(15(9-18)19-13)10-12-6-7-22-12;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;2*14-10-6-4-9(12(16)8-10)5-7-11-2-1-3-13(15)17-11;1-6-9-10-7(2,3)8(4,5)11-9;1-2-6-4-3-5-7(8)9-6;7-4-1-2-6(9)5(8)3-4;6-4-2-1-3-5(7)8-4/h4-7,9,11,15H,8,10,12-14H2,1-3H3;1-4,6,8,12,21H,5,7,9-11H2;4-5,8,12H,6-7,9-10H2,1-3H3;8H,9-11H2,1-7H3;1-4,6,8H,5,7H2;1-8H;6H,1H2,2-5H3;2-5H,1H2;1-3H;1-3H/b;;;;;7-5+;;;;/t;;12-;;;;;;;/m..0......./s1
• InChIKey: QUANNQFHDPNOGT-AODFHQDPSA-N
• XLogP: 35.04
• TPSA: 238.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2707.51
LogP ≤ 5	35.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[2-(4-chloro-2-fluorophenyl)ethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-6-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]pyridine;2-chloro-6-[2-(4-chloro-2-fluorophenyl)ethyl]pyridine;2-chloro-6-ethenylpyridine;4-chloro-2-fluoro-1-iodobenzene;2-[2-(4-chloro-2-fluorophenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2-chloro-6-iodopyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of tert-butyl 4-[6-[2-(4-chloro-2-fluorophenyl)ethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-6-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]pyridine;2-chloro-6-[2-(4-chloro-2-fluorophenyl)ethyl]pyridine;2-chloro-6-ethenylpyridine;4-chloro-2-fluoro-1-iodobenzene;2-[2-(4-chloro-2-fluorophenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2-chloro-6-iodopyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 160519057) is tert-butyl 4-[6-[2-(4-chloro-2-fluorophenyl)ethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-6-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]pyridine;2-chloro-6-[2-(4-chloro-2-fluorophenyl)ethyl]pyridine;2-chloro-6-ethenylpyridine;4-chloro-2-fluoro-1-iodobenzene;2-[2-(4-chloro-2-fluorophenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2-chloro-6-iodopyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for tert-butyl 4-[6-[2-(4-chloro-2-fluorophenyl)ethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-6-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]pyridine;2-chloro-6-[2-(4-chloro-2-fluorophenyl)ethyl]pyridine;2-chloro-6-ethenylpyridine;4-chloro-2-fluoro-1-iodobenzene;2-[2-(4-chloro-2-fluorophenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2-chloro-6-iodopyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for tert-butyl 4-[6-[2-(4-chloro-2-fluorophenyl)ethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-6-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]pyridine;2-chloro-6-[2-(4-chloro-2-fluorophenyl)ethyl]pyridine;2-chloro-6-ethenylpyridine;4-chloro-2-fluoro-1-iodobenzene;2-[2-(4-chloro-2-fluorophenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2-chloro-6-iodopyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=CB1OC(C)(C)C(C)(C)O1.C=Cc1cccc(Cl)n1.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cccc(CCc3ccc(Cl)cc3F)n2)CC1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1.Clc1cccc(I)n1.Fc1cc(Cl)ccc1/C=C/c1cccc(Cl)n1.Fc1cc(Cl)ccc1CCc1cccc(C2=CCNCC2)n1.Fc1cc(Cl)ccc1CCc1cccc(Cl)n1.Fc1cc(Cl)ccc1I.

What is the InChIKey of tert-butyl 4-[6-[2-(4-chloro-2-fluorophenyl)ethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-6-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]pyridine;2-chloro-6-[2-(4-chloro-2-fluorophenyl)ethyl]pyridine;2-chloro-6-ethenylpyridine;4-chloro-2-fluoro-1-iodobenzene;2-[2-(4-chloro-2-fluorophenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2-chloro-6-iodopyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is QUANNQFHDPNOGT-AODFHQDPSA-N. The full InChI is InChI=1S/C23H26ClFN2O2.C18H18ClFN2.C17H21ClN2O3.C16H28BNO4.C13H10Cl2FN.C13H8Cl2FN.C8H15BO2.C7H6ClN.C6H3ClFI.C5H3ClIN/c1-23(2,3)29-22(28)27-13-11-17(12-14-27)21-6-4-5-19(26-21)10-8-16-7-9-18(24)15-20(16)25;19-15-6-4-13(17(20)12-15)5-7-16-2-1-3-18(22-16)14-8-10-21-11-9-14;1-17(2,3)23-16(21)11-4-5-13-14(8-11)20(15(9-18)19-13)10-12-6-7-22-12;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;2*14-10-6-4-9(12(16)8-10)5-7-11-2-1-3-13(15)17-11;1-6-9-10-7(2,3)8(4,5)11-9;1-2-6-4-3-5-7(8)9-6;7-4-1-2-6(9)5(8)3-4;6-4-2-1-3-5(7)8-4/h4-7,9,11,15H,8,10,12-14H2,1-3H3;1-4,6,8,12,21H,5,7,9-11H2;4-5,8,12H,6-7,9-10H2,1-3H3;8H,9-11H2,1-7H3;1-4,6,8H,5,7H2;1-8H;6H,1H2,2-5H3;2-5H,1H2;1-3H;1-3H/b;;;;;7-5+;;;;/t;;12-;;;;;;;/m..0......./s1.

What are the key properties of tert-butyl 4-[6-[2-(4-chloro-2-fluorophenyl)ethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-6-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]pyridine;2-chloro-6-[2-(4-chloro-2-fluorophenyl)ethyl]pyridine;2-chloro-6-ethenylpyridine;4-chloro-2-fluoro-1-iodobenzene;2-[2-(4-chloro-2-fluorophenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2-chloro-6-iodopyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

tert-butyl 4-[6-[2-(4-chloro-2-fluorophenyl)ethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-6-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]pyridine;2-chloro-6-[2-(4-chloro-2-fluorophenyl)ethyl]pyridine;2-chloro-6-ethenylpyridine;4-chloro-2-fluoro-1-iodobenzene;2-[2-(4-chloro-2-fluorophenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2-chloro-6-iodopyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 2707.51 g/mol, XLogP of 35.04, 20 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[6-[2-(4-chloro-2-fluorophenyl)ethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-6-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]pyridine;2-chloro-6-[2-(4-chloro-2-fluorophenyl)ethyl]pyridine;2-chloro-6-ethenylpyridine;4-chloro-2-fluoro-1-iodobenzene;2-[2-(4-chloro-2-fluorophenyl)ethyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2-chloro-6-iodopyridine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 160519057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).