4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]pyridine;bis((2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone);4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate

C103H80BrCl4F6N7O17 — CID 157100435

About 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]pyridine;bis((2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone);4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate

4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]pyridine;bis((2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone);4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate (PubChem CID 157100435) has the molecular formula C103H80BrCl4F6N7O17 and a molecular weight of 2023.51 g/mol. Its IUPAC name is 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]pyridine;bis((2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone);4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate.

Molecular Properties

• Compound Name: 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]pyridine;bis((2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone);4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate
• PubChem CID: 157100435
• Molecular Formula: C103H80BrCl4F6N7O17
• Molecular Weight: 2023.51 g/mol
• Exact Mass: 2019.35
• IUPAC Name: 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]pyridine;bis((2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone);4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate
• SMILES: COC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)OCCO3)cc2=O)cc1.Clc1cc(Br)ccn1.Fc1ccc(C2(c3ccnc(Cl)c3)OCCO2)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)OCCO3)cc2=O)cc1.O=C(c1ccc(F)cc1)c1ccnc(Cl)c1.O=C(c1ccc(F)cc1)c1ccnc(Cl)c1.O=c1cc(C2(c3ccc(F)cc3)OCCO2)cc[nH]1
• InChI: InChI=1S/2C23H20FNO5.C14H11ClFNO2.C14H12FNO3.2C12H7ClFNO.C5H3BrClN/c1-28-22(27)17-4-2-16(3-5-17)15-25-11-10-19(14-21(25)26)23(29-12-13-30-23)18-6-8-20(24)9-7-18;24-20-7-5-18(6-8-20)23(29-11-12-30-23)19-9-10-25(22(28)13-19)14-16-1-3-17(4-2-16)21(27)15-26;15-13-9-11(5-6-17-13)14(18-7-8-19-14)10-1-3-12(16)4-2-10;15-12-3-1-10(2-4-12)14(18-7-8-19-14)11-5-6-16-13(17)9-11;2*13-11-7-9(5-6-15-11)12(16)8-1-3-10(14)4-2-8;6-4-1-2-8-5(7)3-4/h2-11,14H,12-13,15H2,1H3;1-10,13,26H,11-12,14-15H2;1-6,9H,7-8H2;1-6,9H,7-8H2,(H,16,17);2*1-7H;1-3H
• InChIKey: AFRXYFBUAVGZOW-UHFFFAOYSA-N
• XLogP: 19.12
• TPSA: 300.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2023.51
LogP ≤ 5	19.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]pyridine;bis((2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone);4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?

The IUPAC name of 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]pyridine;bis((2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone);4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate (CID 157100435) is 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]pyridine;bis((2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone);4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate.

What is the SMILES notation for 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]pyridine;bis((2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone);4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?

The canonical SMILES for 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]pyridine;bis((2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone);4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate is COC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)OCCO3)cc2=O)cc1.Clc1cc(Br)ccn1.Fc1ccc(C2(c3ccnc(Cl)c3)OCCO2)cc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)OCCO3)cc2=O)cc1.O=C(c1ccc(F)cc1)c1ccnc(Cl)c1.O=C(c1ccc(F)cc1)c1ccnc(Cl)c1.O=c1cc(C2(c3ccc(F)cc3)OCCO2)cc[nH]1.

What is the InChIKey of 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]pyridine;bis((2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone);4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?

The InChIKey is AFRXYFBUAVGZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20FNO5.C14H11ClFNO2.C14H12FNO3.2C12H7ClFNO.C5H3BrClN/c1-28-22(27)17-4-2-16(3-5-17)15-25-11-10-19(14-21(25)26)23(29-12-13-30-23)18-6-8-20(24)9-7-18;24-20-7-5-18(6-8-20)23(29-11-12-30-23)19-9-10-25(22(28)13-19)14-16-1-3-17(4-2-16)21(27)15-26;15-13-9-11(5-6-17-13)14(18-7-8-19-14)10-1-3-12(16)4-2-10;15-12-3-1-10(2-4-12)14(18-7-8-19-14)11-5-6-16-13(17)9-11;2*13-11-7-9(5-6-15-11)12(16)8-1-3-10(14)4-2-8;6-4-1-2-8-5(7)3-4/h2-11,14H,12-13,15H2,1H3;1-10,13,26H,11-12,14-15H2;1-6,9H,7-8H2;1-6,9H,7-8H2,(H,16,17);2*1-7H;1-3H.

What are the key properties of 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]pyridine;bis((2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone);4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate?

4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]pyridine;bis((2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone);4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate has a molecular weight of 2023.51 g/mol, XLogP of 19.12, 19 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-chloropyridine;2-chloro-4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]pyridine;bis((2-chloro-4-pyridinyl)-(4-fluorophenyl)methanone);4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-pyridin-2-one;methyl 4-[[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-oxo-1-pyridinyl]methyl]benzoate is sourced from PubChem (CID 157100435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).