4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-(5-chloro-2-fluorophenyl)cyclohexyl]propan-2-ol;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;bis(methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate);methyl 4,6-dichloropyridine-3-carboxylate

C86H78Cl9F4N9O8 — CID 159399811

About 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-(5-chloro-2-fluorophenyl)cyclohexyl]propan-2-ol;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;bis(methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate);methyl 4,6-dichloropyridine-3-carboxylate

4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-(5-chloro-2-fluorophenyl)cyclohexyl]propan-2-ol;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;bis(methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate);methyl 4,6-dichloropyridine-3-carboxylate (PubChem CID 159399811) has the molecular formula C86H78Cl9F4N9O8 and a molecular weight of 1760.69 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-(5-chloro-2-fluorophenyl)cyclohexyl]propan-2-ol;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;bis(methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate);methyl 4,6-dichloropyridine-3-carboxylate.

Molecular Properties

• Compound Name: 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-(5-chloro-2-fluorophenyl)cyclohexyl]propan-2-ol;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;bis(methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate);methyl 4,6-dichloropyridine-3-carboxylate
• PubChem CID: 159399811
• Molecular Formula: C86H78Cl9F4N9O8
• Molecular Weight: 1760.69 g/mol
• Exact Mass: 1755.31
• IUPAC Name: 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-(5-chloro-2-fluorophenyl)cyclohexyl]propan-2-ol;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;bis(methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate);methyl 4,6-dichloropyridine-3-carboxylate
• SMILES: C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)OC.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)OC.CC(C)(O)C1CCC(c2cc(Cl)ccc2F)CC1.CC(C)(O)c1cnc(Cl)cc1Cl.COC(=O)c1cnc(Cl)cc1Cl
• InChI: InChI=1S/2C21H17ClFN3O2.C15H20ClFO.C14H10Cl2FN.C8H9Cl2NO.C7H5Cl2NO2/c2*1-12(2)15-11-25-19(14-8-13(22)4-5-17(14)23)9-20(15)26-18-6-7-24-10-16(18)21(27)28-3;1-15(2,18)11-5-3-10(4-6-11)13-9-12(16)7-8-14(13)17;1-8(2)11-7-18-14(6-12(11)16)10-5-9(15)3-4-13(10)17;1-8(2,12)5-4-11-7(10)3-6(5)9;1-12-7(11)4-3-10-6(9)2-5(4)8/h2*4-11H,1H2,2-3H3,(H,24,25,26);7-11,18H,3-6H2,1-2H3;3-7H,1H2,2H3;3-4,12H,1-2H3;2-3H,1H3
• InChIKey: LNERHKLZRPCNLA-UHFFFAOYSA-N
• XLogP: 25.54
• TPSA: 233.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1760.69
LogP ≤ 5	25.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-(5-chloro-2-fluorophenyl)cyclohexyl]propan-2-ol;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;bis(methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate);methyl 4,6-dichloropyridine-3-carboxylate?

The IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-(5-chloro-2-fluorophenyl)cyclohexyl]propan-2-ol;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;bis(methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate);methyl 4,6-dichloropyridine-3-carboxylate (CID 159399811) is 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-(5-chloro-2-fluorophenyl)cyclohexyl]propan-2-ol;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;bis(methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate);methyl 4,6-dichloropyridine-3-carboxylate.

What is the SMILES notation for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-(5-chloro-2-fluorophenyl)cyclohexyl]propan-2-ol;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;bis(methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate);methyl 4,6-dichloropyridine-3-carboxylate?

The canonical SMILES for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-(5-chloro-2-fluorophenyl)cyclohexyl]propan-2-ol;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;bis(methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate);methyl 4,6-dichloropyridine-3-carboxylate is C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)OC.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)OC.CC(C)(O)C1CCC(c2cc(Cl)ccc2F)CC1.CC(C)(O)c1cnc(Cl)cc1Cl.COC(=O)c1cnc(Cl)cc1Cl.

What is the InChIKey of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-(5-chloro-2-fluorophenyl)cyclohexyl]propan-2-ol;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;bis(methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate);methyl 4,6-dichloropyridine-3-carboxylate?

The InChIKey is LNERHKLZRPCNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H17ClFN3O2.C15H20ClFO.C14H10Cl2FN.C8H9Cl2NO.C7H5Cl2NO2/c2*1-12(2)15-11-25-19(14-8-13(22)4-5-17(14)23)9-20(15)26-18-6-7-24-10-16(18)21(27)28-3;1-15(2,18)11-5-3-10(4-6-11)13-9-12(16)7-8-14(13)17;1-8(2)11-7-18-14(6-12(11)16)10-5-9(15)3-4-13(10)17;1-8(2,12)5-4-11-7(10)3-6(5)9;1-12-7(11)4-3-10-6(9)2-5(4)8/h2*4-11H,1H2,2-3H3,(H,24,25,26);7-11,18H,3-6H2,1-2H3;3-7H,1H2,2H3;3-4,12H,1-2H3;2-3H,1H3.

What are the key properties of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-(5-chloro-2-fluorophenyl)cyclohexyl]propan-2-ol;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;bis(methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate);methyl 4,6-dichloropyridine-3-carboxylate?

4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-(5-chloro-2-fluorophenyl)cyclohexyl]propan-2-ol;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;bis(methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate);methyl 4,6-dichloropyridine-3-carboxylate has a molecular weight of 1760.69 g/mol, XLogP of 25.54, 16 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine;2-[4-(5-chloro-2-fluorophenyl)cyclohexyl]propan-2-ol;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;bis(methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate);methyl 4,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 159399811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).