benzyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;benzyl 4-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperazine-1-carboxylate;2,6-dichloro-4-nitropyridine

C88H91Cl6F3N14O10 — CID 159721429

About benzyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;benzyl 4-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperazine-1-carboxylate;2,6-dichloro-4-nitropyridine

benzyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;benzyl 4-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperazine-1-carboxylate;2,6-dichloro-4-nitropyridine (PubChem CID 159721429) has the molecular formula C88H91Cl6F3N14O10 and a molecular weight of 1774.50 g/mol. Its IUPAC name is benzyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;benzyl 4-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperazine-1-carboxylate;2,6-dichloro-4-nitropyridine.

Molecular Properties

• Compound Name: benzyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;benzyl 4-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperazine-1-carboxylate;2,6-dichloro-4-nitropyridine
• PubChem CID: 159721429
• Molecular Formula: C88H91Cl6F3N14O10
• Molecular Weight: 1774.50 g/mol
• Exact Mass: 1770.51
• IUPAC Name: benzyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;benzyl 4-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperazine-1-carboxylate;2,6-dichloro-4-nitropyridine
• SMILES: C=C(C)c1cc(N2CCN(C(=O)OCc3ccccc3)CC2)cc(-c2ccc(F)cc2)n1.CC(C)(C)OC(=O)N1CCN(c2cc(Cl)nc(-c3ccc(F)cc3)c2)CC1.CC(C)(C)OC(=O)N1CCN(c2cc(Cl)nc(Cl)c2)CC1.O=C(OCc1ccccc1)N1CCN(c2cc(Cl)nc(-c3ccc(F)cc3)c2)CC1.O=[N+]([O-])c1cc(Cl)nc(Cl)c1
• InChI: InChI=1S/C26H26FN3O2.C23H21ClFN3O2.C20H23ClFN3O2.C14H19Cl2N3O2.C5H2Cl2N2O2/c1-19(2)24-16-23(17-25(28-24)21-8-10-22(27)11-9-21)29-12-14-30(15-13-29)26(31)32-18-20-6-4-3-5-7-20;24-22-15-20(14-21(26-22)18-6-8-19(25)9-7-18)27-10-12-28(13-11-27)23(29)30-16-17-4-2-1-3-5-17;1-20(2,3)27-19(26)25-10-8-24(9-11-25)16-12-17(23-18(21)13-16)14-4-6-15(22)7-5-14;1-14(2,3)21-13(20)19-6-4-18(5-7-19)10-8-11(15)17-12(16)9-10;6-4-1-3(9(10)11)2-5(7)8-4/h3-11,16-17H,1,12-15,18H2,2H3;1-9,14-15H,10-13,16H2;4-7,12-13H,8-11H2,1-3H3;8-9H,4-7H2,1-3H3;1-2H
• InChIKey: NABXSHLWCUVHCC-UHFFFAOYSA-N
• XLogP: 20.72
• TPSA: 238.71 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1774.50
LogP ≤ 5	20.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;benzyl 4-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperazine-1-carboxylate;2,6-dichloro-4-nitropyridine?

The IUPAC name of benzyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;benzyl 4-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperazine-1-carboxylate;2,6-dichloro-4-nitropyridine (CID 159721429) is benzyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;benzyl 4-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperazine-1-carboxylate;2,6-dichloro-4-nitropyridine.

What is the SMILES notation for benzyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;benzyl 4-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperazine-1-carboxylate;2,6-dichloro-4-nitropyridine?

The canonical SMILES for benzyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;benzyl 4-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperazine-1-carboxylate;2,6-dichloro-4-nitropyridine is C=C(C)c1cc(N2CCN(C(=O)OCc3ccccc3)CC2)cc(-c2ccc(F)cc2)n1.CC(C)(C)OC(=O)N1CCN(c2cc(Cl)nc(-c3ccc(F)cc3)c2)CC1.CC(C)(C)OC(=O)N1CCN(c2cc(Cl)nc(Cl)c2)CC1.O=C(OCc1ccccc1)N1CCN(c2cc(Cl)nc(-c3ccc(F)cc3)c2)CC1.O=[N+]([O-])c1cc(Cl)nc(Cl)c1.

What is the InChIKey of benzyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;benzyl 4-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperazine-1-carboxylate;2,6-dichloro-4-nitropyridine?

The InChIKey is NABXSHLWCUVHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2.C23H21ClFN3O2.C20H23ClFN3O2.C14H19Cl2N3O2.C5H2Cl2N2O2/c1-19(2)24-16-23(17-25(28-24)21-8-10-22(27)11-9-21)29-12-14-30(15-13-29)26(31)32-18-20-6-4-3-5-7-20;24-22-15-20(14-21(26-22)18-6-8-19(25)9-7-18)27-10-12-28(13-11-27)23(29)30-16-17-4-2-1-3-5-17;1-20(2,3)27-19(26)25-10-8-24(9-11-25)16-12-17(23-18(21)13-16)14-4-6-15(22)7-5-14;1-14(2,3)21-13(20)19-6-4-18(5-7-19)10-8-11(15)17-12(16)9-10;6-4-1-3(9(10)11)2-5(7)8-4/h3-11,16-17H,1,12-15,18H2,2H3;1-9,14-15H,10-13,16H2;4-7,12-13H,8-11H2,1-3H3;8-9H,4-7H2,1-3H3;1-2H.

What are the key properties of benzyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;benzyl 4-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperazine-1-carboxylate;2,6-dichloro-4-nitropyridine?

benzyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;benzyl 4-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperazine-1-carboxylate;2,6-dichloro-4-nitropyridine has a molecular weight of 1774.50 g/mol, XLogP of 20.72, 13 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;benzyl 4-[2-(4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(2,6-dichloro-4-pyridinyl)piperazine-1-carboxylate;2,6-dichloro-4-nitropyridine is sourced from PubChem (CID 159721429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).