2-chloro-4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]pyridine;2-chloro-4-[1-(4-fluorophenyl)ethenyl]pyridine;1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol;(2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate

C116H98Cl4F7N7O18 — CID 159721215

About 2-chloro-4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]pyridine;2-chloro-4-[1-(4-fluorophenyl)ethenyl]pyridine;1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol;(2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate

2-chloro-4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]pyridine;2-chloro-4-[1-(4-fluorophenyl)ethenyl]pyridine;1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol;(2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate (PubChem CID 159721215) has the molecular formula C116H98Cl4F7N7O18 and a molecular weight of 2152.89 g/mol. Its IUPAC name is 2-chloro-4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]pyridine;2-chloro-4-[1-(4-fluorophenyl)ethenyl]pyridine;1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol;(2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate.

Molecular Properties

• Compound Name: 2-chloro-4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]pyridine;2-chloro-4-[1-(4-fluorophenyl)ethenyl]pyridine;1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol;(2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate
• PubChem CID: 159721215
• Molecular Formula: C116H98Cl4F7N7O18
• Molecular Weight: 2152.89 g/mol
• Exact Mass: 2149.56
• IUPAC Name: 2-chloro-4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]pyridine;2-chloro-4-[1-(4-fluorophenyl)ethenyl]pyridine;1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol;(2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate
• SMILES: C=C(c1ccc(F)cc1)c1ccnc(Cl)c1.COC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)COCCO3)cc2=O)cc1.Fc1ccc(C2(c3ccnc(Cl)c3)COCCO2)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)COCCO3)cc2=O)cc1.O=C(c1ccc(F)cc1)c1ccnc(Cl)c1.O=c1cc(C2(c3ccc(F)cc3)COCCO2)cc[nH]1.OCC(O)(c1ccc(F)cc1)c1ccnc(Cl)c1
• InChI: InChI=1S/2C24H22FNO5.C15H13ClFNO2.C15H14FNO3.C13H11ClFNO2.C13H9ClFN.C12H7ClFNO/c1-29-23(28)18-4-2-17(3-5-18)15-26-11-10-20(14-22(26)27)24(16-30-12-13-31-24)19-6-8-21(25)9-7-19;25-21-7-5-19(6-8-21)24(16-30-11-12-31-24)20-9-10-26(23(29)13-20)14-17-1-3-18(4-2-17)22(28)15-27;16-14-9-12(5-6-18-14)15(10-19-7-8-20-15)11-1-3-13(17)4-2-11;16-13-3-1-11(2-4-13)15(10-19-7-8-20-15)12-5-6-17-14(18)9-12;14-12-7-10(5-6-16-12)13(18,8-17)9-1-3-11(15)4-2-9;1-9(10-2-4-12(15)5-3-10)11-6-7-16-13(14)8-11;13-11-7-9(5-6-15-11)12(16)8-1-3-10(14)4-2-8/h2-11,14H,12-13,15-16H2,1H3;1-10,13,27H,11-12,14-16H2;1-6,9H,7-8,10H2;1-6,9H,7-8,10H2,(H,17,18);1-7,17-18H,8H2;2-8H,1H2;1-7H
• InChIKey: NABFQQQUYMDOHP-UHFFFAOYSA-N
• XLogP: 19.73
• TPSA: 323.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2152.89
LogP ≤ 5	19.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]pyridine;2-chloro-4-[1-(4-fluorophenyl)ethenyl]pyridine;1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol;(2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?

The IUPAC name of 2-chloro-4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]pyridine;2-chloro-4-[1-(4-fluorophenyl)ethenyl]pyridine;1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol;(2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate (CID 159721215) is 2-chloro-4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]pyridine;2-chloro-4-[1-(4-fluorophenyl)ethenyl]pyridine;1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol;(2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate.

What is the SMILES notation for 2-chloro-4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]pyridine;2-chloro-4-[1-(4-fluorophenyl)ethenyl]pyridine;1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol;(2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?

The canonical SMILES for 2-chloro-4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]pyridine;2-chloro-4-[1-(4-fluorophenyl)ethenyl]pyridine;1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol;(2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate is C=C(c1ccc(F)cc1)c1ccnc(Cl)c1.COC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)COCCO3)cc2=O)cc1.Fc1ccc(C2(c3ccnc(Cl)c3)COCCO2)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)COCCO3)cc2=O)cc1.O=C(c1ccc(F)cc1)c1ccnc(Cl)c1.O=c1cc(C2(c3ccc(F)cc3)COCCO2)cc[nH]1.OCC(O)(c1ccc(F)cc1)c1ccnc(Cl)c1.

What is the InChIKey of 2-chloro-4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]pyridine;2-chloro-4-[1-(4-fluorophenyl)ethenyl]pyridine;1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol;(2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?

The InChIKey is NABFQQQUYMDOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22FNO5.C15H13ClFNO2.C15H14FNO3.C13H11ClFNO2.C13H9ClFN.C12H7ClFNO/c1-29-23(28)18-4-2-17(3-5-18)15-26-11-10-20(14-22(26)27)24(16-30-12-13-31-24)19-6-8-21(25)9-7-19;25-21-7-5-19(6-8-21)24(16-30-11-12-31-24)20-9-10-26(23(29)13-20)14-17-1-3-18(4-2-17)22(28)15-27;16-14-9-12(5-6-18-14)15(10-19-7-8-20-15)11-1-3-13(17)4-2-11;16-13-3-1-11(2-4-13)15(10-19-7-8-20-15)12-5-6-17-14(18)9-12;14-12-7-10(5-6-16-12)13(18,8-17)9-1-3-11(15)4-2-9;1-9(10-2-4-12(15)5-3-10)11-6-7-16-13(14)8-11;13-11-7-9(5-6-15-11)12(16)8-1-3-10(14)4-2-8/h2-11,14H,12-13,15-16H2,1H3;1-10,13,27H,11-12,14-16H2;1-6,9H,7-8,10H2;1-6,9H,7-8,10H2,(H,17,18);1-7,17-18H,8H2;2-8H,1H2;1-7H.

What are the key properties of 2-chloro-4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]pyridine;2-chloro-4-[1-(4-fluorophenyl)ethenyl]pyridine;1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol;(2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?

2-chloro-4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]pyridine;2-chloro-4-[1-(4-fluorophenyl)ethenyl]pyridine;1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol;(2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate has a molecular weight of 2152.89 g/mol, XLogP of 19.73, 22 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]pyridine;2-chloro-4-[1-(4-fluorophenyl)ethenyl]pyridine;1-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)ethane-1,2-diol;(2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,4-dioxan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate is sourced from PubChem (CID 159721215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).