tert-butyl 4-(6-bromo-2-pyridinyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidine-1-carboxylate;tert-butyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-isocyanopiperidine-1-carboxylate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidine-4-carbonitrile;2,6-dibromopyridine

C156H170Br3Cl5F4N24O19 — CID 160735060

About tert-butyl 4-(6-bromo-2-pyridinyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidine-1-carboxylate;tert-butyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-isocyanopiperidine-1-carboxylate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidine-4-carbonitrile;2,6-dibromopyridine

tert-butyl 4-(6-bromo-2-pyridinyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidine-1-carboxylate;tert-butyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-isocyanopiperidine-1-carboxylate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidine-4-carbonitrile;2,6-dibromopyridine (PubChem CID 160735060) has the molecular formula C156H170Br3Cl5F4N24O19 and a molecular weight of 3178.19 g/mol. Its IUPAC name is tert-butyl 4-(6-bromo-2-pyridinyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidine-1-carboxylate;tert-butyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-isocyanopiperidine-1-carboxylate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidine-4-carbonitrile;2,6-dibromopyridine.

Molecular Properties

• Compound Name: tert-butyl 4-(6-bromo-2-pyridinyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidine-1-carboxylate;tert-butyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-isocyanopiperidine-1-carboxylate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidine-4-carbonitrile;2,6-dibromopyridine
• PubChem CID: 160735060
• Molecular Formula: C156H170Br3Cl5F4N24O19
• Molecular Weight: 3178.19 g/mol
• Exact Mass: 3170.90
• IUPAC Name: tert-butyl 4-(6-bromo-2-pyridinyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidine-1-carboxylate;tert-butyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-isocyanopiperidine-1-carboxylate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidine-4-carbonitrile;2,6-dibromopyridine
• SMILES: Brc1cccc(Br)n1.CC(C)(C)OC(=O)N1CCC(C#N)(c2cccc(Br)n2)CC1.CC(C)(C)OC(=O)N1CCC(C#N)(c2cccc(OCc3ccc(Cl)cc3F)n2)CC1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1.CC(C)(C)OC(=O)c1ccc2nc(CN3CCC(C#N)(c4cccc(OCc5ccc(Cl)cc5F)n4)CC3)n(C[C@@H]3CCO3)c2c1.N#CC1(c2cccc(OCc3ccc(Cl)cc3F)n2)CCN(Cc2nc3ccc(C(=O)O)cc3n2C[C@@H]2CCO2)CC1.N#CC1(c2cccc(OCc3ccc(Cl)cc3F)n2)CCNCC1.[C-]#[N+]C1CCN(C(=O)OC(C)(C)C)CC1
• InChI: InChI=1S/C35H37ClFN5O4.C31H29ClFN5O4.C23H25ClFN3O3.C18H17ClFN3O.C17H21ClN2O3.C16H20BrN3O2.C11H18N2O2.C5H3Br2N/c1-34(2,3)46-33(43)23-8-10-28-29(17-23)42(19-26-11-16-44-26)31(39-28)20-41-14-12-35(22-38,13-15-41)30-5-4-6-32(40-30)45-21-24-7-9-25(36)18-27(24)37;32-22-6-4-21(24(33)15-22)18-42-29-3-1-2-27(36-29)31(19-34)9-11-37(12-10-31)17-28-35-25-7-5-20(30(39)40)14-26(25)38(28)16-23-8-13-41-23;1-22(2,3)31-21(29)28-11-9-23(15-26,10-12-28)19-5-4-6-20(27-19)30-14-16-7-8-17(24)13-18(16)25;19-14-5-4-13(15(20)10-14)11-24-17-3-1-2-16(23-17)18(12-21)6-8-22-9-7-18;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;1-15(2,3)22-14(21)20-9-7-16(11-18,8-10-20)12-5-4-6-13(17)19-12;1-11(2,3)15-10(14)13-7-5-9(12-4)6-8-13;6-4-2-1-3-5(7)8-4/h4-10,17-18,26H,11-16,19-21H2,1-3H3;1-7,14-15,23H,8-13,16-18H2,(H,39,40);4-8,13H,9-12,14H2,1-3H3;1-5,10,22H,6-9,11H2;4-5,8,12H,6-7,9-10H2,1-3H3;4-6H,7-10H2,1-3H3;9H,5-8H2,1-3H3;1-3H/t26-;23-;;;12-;;;/m00..0.../s1
• InChIKey: RUVMUYBKTKQUOW-ROWRKQLOSA-N
• XLogP: 32.86
• TPSA: 515.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3178.19
LogP ≤ 5	32.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

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': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-bromo-2-pyridinyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidine-1-carboxylate;tert-butyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-isocyanopiperidine-1-carboxylate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidine-4-carbonitrile;2,6-dibromopyridine?

The IUPAC name of tert-butyl 4-(6-bromo-2-pyridinyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidine-1-carboxylate;tert-butyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-isocyanopiperidine-1-carboxylate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidine-4-carbonitrile;2,6-dibromopyridine (CID 160735060) is tert-butyl 4-(6-bromo-2-pyridinyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidine-1-carboxylate;tert-butyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-isocyanopiperidine-1-carboxylate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidine-4-carbonitrile;2,6-dibromopyridine.

What is the SMILES notation for tert-butyl 4-(6-bromo-2-pyridinyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidine-1-carboxylate;tert-butyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-isocyanopiperidine-1-carboxylate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidine-4-carbonitrile;2,6-dibromopyridine?

The canonical SMILES for tert-butyl 4-(6-bromo-2-pyridinyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidine-1-carboxylate;tert-butyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-isocyanopiperidine-1-carboxylate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidine-4-carbonitrile;2,6-dibromopyridine is Brc1cccc(Br)n1.CC(C)(C)OC(=O)N1CCC(C#N)(c2cccc(Br)n2)CC1.CC(C)(C)OC(=O)N1CCC(C#N)(c2cccc(OCc3ccc(Cl)cc3F)n2)CC1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1.CC(C)(C)OC(=O)c1ccc2nc(CN3CCC(C#N)(c4cccc(OCc5ccc(Cl)cc5F)n4)CC3)n(C[C@@H]3CCO3)c2c1.N#CC1(c2cccc(OCc3ccc(Cl)cc3F)n2)CCN(Cc2nc3ccc(C(=O)O)cc3n2C[C@@H]2CCO2)CC1.N#CC1(c2cccc(OCc3ccc(Cl)cc3F)n2)CCNCC1.[C-]#[N+]C1CCN(C(=O)OC(C)(C)C)CC1.

What is the InChIKey of tert-butyl 4-(6-bromo-2-pyridinyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidine-1-carboxylate;tert-butyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-isocyanopiperidine-1-carboxylate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidine-4-carbonitrile;2,6-dibromopyridine?

The InChIKey is RUVMUYBKTKQUOW-ROWRKQLOSA-N. The full InChI is InChI=1S/C35H37ClFN5O4.C31H29ClFN5O4.C23H25ClFN3O3.C18H17ClFN3O.C17H21ClN2O3.C16H20BrN3O2.C11H18N2O2.C5H3Br2N/c1-34(2,3)46-33(43)23-8-10-28-29(17-23)42(19-26-11-16-44-26)31(39-28)20-41-14-12-35(22-38,13-15-41)30-5-4-6-32(40-30)45-21-24-7-9-25(36)18-27(24)37;32-22-6-4-21(24(33)15-22)18-42-29-3-1-2-27(36-29)31(19-34)9-11-37(12-10-31)17-28-35-25-7-5-20(30(39)40)14-26(25)38(28)16-23-8-13-41-23;1-22(2,3)31-21(29)28-11-9-23(15-26,10-12-28)19-5-4-6-20(27-19)30-14-16-7-8-17(24)13-18(16)25;19-14-5-4-13(15(20)10-14)11-24-17-3-1-2-16(23-17)18(12-21)6-8-22-9-7-18;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;1-15(2,3)22-14(21)20-9-7-16(11-18,8-10-20)12-5-4-6-13(17)19-12;1-11(2,3)15-10(14)13-7-5-9(12-4)6-8-13;6-4-2-1-3-5(7)8-4/h4-10,17-18,26H,11-16,19-21H2,1-3H3;1-7,14-15,23H,8-13,16-18H2,(H,39,40);4-8,13H,9-12,14H2,1-3H3;1-5,10,22H,6-9,11H2;4-5,8,12H,6-7,9-10H2,1-3H3;4-6H,7-10H2,1-3H3;9H,5-8H2,1-3H3;1-3H/t26-;23-;;;12-;;;/m00..0.../s1.

What are the key properties of tert-butyl 4-(6-bromo-2-pyridinyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidine-1-carboxylate;tert-butyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-isocyanopiperidine-1-carboxylate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidine-4-carbonitrile;2,6-dibromopyridine?

tert-butyl 4-(6-bromo-2-pyridinyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidine-1-carboxylate;tert-butyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-isocyanopiperidine-1-carboxylate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidine-4-carbonitrile;2,6-dibromopyridine has a molecular weight of 3178.19 g/mol, XLogP of 32.86, 31 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(6-bromo-2-pyridinyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidine-1-carboxylate;tert-butyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-isocyanopiperidine-1-carboxylate;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-cyanopiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidine-4-carbonitrile;2,6-dibromopyridine is sourced from PubChem (CID 160735060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).