2-chloro-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2,6-dichloro-4-iodopyridine;bis(2,6-dichloro-4-(1-methylcyclohexyl)pyridine);[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methanol;[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methyl methanesulfonate;ethyl 1-(2,6-dichloro-4-pyridinyl)cyclohexane-1-carboxylate;2-(4-fluorophenyl)-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol

C126H153Cl13F2IN9O7S — CID 159731913

About 2-chloro-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2,6-dichloro-4-iodopyridine;bis(2,6-dichloro-4-(1-methylcyclohexyl)pyridine);[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methanol;[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methyl methanesulfonate;ethyl 1-(2,6-dichloro-4-pyridinyl)cyclohexane-1-carboxylate;2-(4-fluorophenyl)-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol

2-chloro-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2,6-dichloro-4-iodopyridine;bis(2,6-dichloro-4-(1-methylcyclohexyl)pyridine);[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methanol;[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methyl methanesulfonate;ethyl 1-(2,6-dichloro-4-pyridinyl)cyclohexane-1-carboxylate;2-(4-fluorophenyl)-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol (PubChem CID 159731913) has the molecular formula C126H153Cl13F2IN9O7S and a molecular weight of 2563.52 g/mol. Its IUPAC name is 2-chloro-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2,6-dichloro-4-iodopyridine;bis(2,6-dichloro-4-(1-methylcyclohexyl)pyridine);[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methanol;[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methyl methanesulfonate;ethyl 1-(2,6-dichloro-4-pyridinyl)cyclohexane-1-carboxylate;2-(4-fluorophenyl)-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol.

Molecular Properties

• Compound Name: 2-chloro-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2,6-dichloro-4-iodopyridine;bis(2,6-dichloro-4-(1-methylcyclohexyl)pyridine);[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methanol;[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methyl methanesulfonate;ethyl 1-(2,6-dichloro-4-pyridinyl)cyclohexane-1-carboxylate;2-(4-fluorophenyl)-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol
• PubChem CID: 159731913
• Molecular Formula: C126H153Cl13F2IN9O7S
• Molecular Weight: 2563.52 g/mol
• Exact Mass: 2555.66
• IUPAC Name: 2-chloro-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2,6-dichloro-4-iodopyridine;bis(2,6-dichloro-4-(1-methylcyclohexyl)pyridine);[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methanol;[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methyl methanesulfonate;ethyl 1-(2,6-dichloro-4-pyridinyl)cyclohexane-1-carboxylate;2-(4-fluorophenyl)-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol
• SMILES: C=C(C)c1cc(C2(C)CCCCC2)cc(-c2ccc(F)cc2)n1.C=C(C)c1cc(C2(C)CCCCC2)cc(Cl)n1.CC1(c2cc(Cl)nc(Cl)c2)CCCCC1.CC1(c2cc(Cl)nc(Cl)c2)CCCCC1.CCC(C)(O)c1cc(C2(C)CCCCC2)cc(-c2ccc(F)cc2)n1.CCOC(=O)C1(c2cc(Cl)nc(Cl)c2)CCCCC1.CS(=O)(=O)OCC1(c2cc(Cl)nc(Cl)c2)CCCCC1.Clc1cc(I)cc(Cl)n1.OCC1(c2cc(Cl)nc(Cl)c2)CCCCC1
• InChI: InChI=1S/C22H28FNO.C21H24FN.C15H20ClN.C14H17Cl2NO2.C13H17Cl2NO3S.C12H15Cl2NO.2C12H15Cl2N.C5H2Cl2IN/c1-4-22(3,25)20-15-17(21(2)12-6-5-7-13-21)14-19(24-20)16-8-10-18(23)11-9-16;1-15(2)19-13-17(21(3)11-5-4-6-12-21)14-20(23-19)16-7-9-18(22)10-8-16;1-11(2)13-9-12(10-14(16)17-13)15(3)7-5-4-6-8-15;1-2-19-13(18)14(6-4-3-5-7-14)10-8-11(15)17-12(16)9-10;1-20(17,18)19-9-13(5-3-2-4-6-13)10-7-11(14)16-12(15)8-10;13-10-6-9(7-11(14)15-10)12(8-16)4-2-1-3-5-12;2*1-12(5-3-2-4-6-12)9-7-10(13)15-11(14)8-9;6-4-1-3(8)2-5(7)9-4/h8-11,14-15,25H,4-7,12-13H2,1-3H3;7-10,13-14H,1,4-6,11-12H2,2-3H3;9-10H,1,4-8H2,2-3H3;8-9H,2-7H2,1H3;7-8H,2-6,9H2,1H3;6-7,16H,1-5,8H2;2*7-8H,2-6H2,1H3;1-2H
• InChIKey: NBILTFPPRXCQFA-UHFFFAOYSA-N
• XLogP: 40.38
• TPSA: 226.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2563.52
LogP ≤ 5	40.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2,6-dichloro-4-iodopyridine;bis(2,6-dichloro-4-(1-methylcyclohexyl)pyridine);[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methanol;[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methyl methanesulfonate;ethyl 1-(2,6-dichloro-4-pyridinyl)cyclohexane-1-carboxylate;2-(4-fluorophenyl)-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol?

The IUPAC name of 2-chloro-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2,6-dichloro-4-iodopyridine;bis(2,6-dichloro-4-(1-methylcyclohexyl)pyridine);[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methanol;[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methyl methanesulfonate;ethyl 1-(2,6-dichloro-4-pyridinyl)cyclohexane-1-carboxylate;2-(4-fluorophenyl)-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol (CID 159731913) is 2-chloro-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2,6-dichloro-4-iodopyridine;bis(2,6-dichloro-4-(1-methylcyclohexyl)pyridine);[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methanol;[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methyl methanesulfonate;ethyl 1-(2,6-dichloro-4-pyridinyl)cyclohexane-1-carboxylate;2-(4-fluorophenyl)-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol.

What is the SMILES notation for 2-chloro-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2,6-dichloro-4-iodopyridine;bis(2,6-dichloro-4-(1-methylcyclohexyl)pyridine);[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methanol;[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methyl methanesulfonate;ethyl 1-(2,6-dichloro-4-pyridinyl)cyclohexane-1-carboxylate;2-(4-fluorophenyl)-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol?

The canonical SMILES for 2-chloro-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2,6-dichloro-4-iodopyridine;bis(2,6-dichloro-4-(1-methylcyclohexyl)pyridine);[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methanol;[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methyl methanesulfonate;ethyl 1-(2,6-dichloro-4-pyridinyl)cyclohexane-1-carboxylate;2-(4-fluorophenyl)-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol is C=C(C)c1cc(C2(C)CCCCC2)cc(-c2ccc(F)cc2)n1.C=C(C)c1cc(C2(C)CCCCC2)cc(Cl)n1.CC1(c2cc(Cl)nc(Cl)c2)CCCCC1.CC1(c2cc(Cl)nc(Cl)c2)CCCCC1.CCC(C)(O)c1cc(C2(C)CCCCC2)cc(-c2ccc(F)cc2)n1.CCOC(=O)C1(c2cc(Cl)nc(Cl)c2)CCCCC1.CS(=O)(=O)OCC1(c2cc(Cl)nc(Cl)c2)CCCCC1.Clc1cc(I)cc(Cl)n1.OCC1(c2cc(Cl)nc(Cl)c2)CCCCC1.

What is the InChIKey of 2-chloro-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2,6-dichloro-4-iodopyridine;bis(2,6-dichloro-4-(1-methylcyclohexyl)pyridine);[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methanol;[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methyl methanesulfonate;ethyl 1-(2,6-dichloro-4-pyridinyl)cyclohexane-1-carboxylate;2-(4-fluorophenyl)-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol?

The InChIKey is NBILTFPPRXCQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO.C21H24FN.C15H20ClN.C14H17Cl2NO2.C13H17Cl2NO3S.C12H15Cl2NO.2C12H15Cl2N.C5H2Cl2IN/c1-4-22(3,25)20-15-17(21(2)12-6-5-7-13-21)14-19(24-20)16-8-10-18(23)11-9-16;1-15(2)19-13-17(21(3)11-5-4-6-12-21)14-20(23-19)16-7-9-18(22)10-8-16;1-11(2)13-9-12(10-14(16)17-13)15(3)7-5-4-6-8-15;1-2-19-13(18)14(6-4-3-5-7-14)10-8-11(15)17-12(16)9-10;1-20(17,18)19-9-13(5-3-2-4-6-13)10-7-11(14)16-12(15)8-10;13-10-6-9(7-11(14)15-10)12(8-16)4-2-1-3-5-12;2*1-12(5-3-2-4-6-12)9-7-10(13)15-11(14)8-9;6-4-1-3(8)2-5(7)9-4/h8-11,14-15,25H,4-7,12-13H2,1-3H3;7-10,13-14H,1,4-6,11-12H2,2-3H3;9-10H,1,4-8H2,2-3H3;8-9H,2-7H2,1H3;7-8H,2-6,9H2,1H3;6-7,16H,1-5,8H2;2*7-8H,2-6H2,1H3;1-2H.

What are the key properties of 2-chloro-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2,6-dichloro-4-iodopyridine;bis(2,6-dichloro-4-(1-methylcyclohexyl)pyridine);[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methanol;[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methyl methanesulfonate;ethyl 1-(2,6-dichloro-4-pyridinyl)cyclohexane-1-carboxylate;2-(4-fluorophenyl)-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol?

2-chloro-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2,6-dichloro-4-iodopyridine;bis(2,6-dichloro-4-(1-methylcyclohexyl)pyridine);[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methanol;[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methyl methanesulfonate;ethyl 1-(2,6-dichloro-4-pyridinyl)cyclohexane-1-carboxylate;2-(4-fluorophenyl)-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol has a molecular weight of 2563.52 g/mol, XLogP of 40.38, 20 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2,6-dichloro-4-iodopyridine;bis(2,6-dichloro-4-(1-methylcyclohexyl)pyridine);[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methanol;[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methyl methanesulfonate;ethyl 1-(2,6-dichloro-4-pyridinyl)cyclohexane-1-carboxylate;2-(4-fluorophenyl)-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol is sourced from PubChem (CID 159731913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).