2-bromo-1-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone;1-bromo-2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide

C55H50Br5F3N4O10 — CID 159667783

About 2-bromo-1-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone;1-bromo-2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide

2-bromo-1-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone;1-bromo-2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide (PubChem CID 159667783) has the molecular formula C55H50Br5F3N4O10 and a molecular weight of 1383.54 g/mol. Its IUPAC name is 2-bromo-1-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone;1-bromo-2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

• Compound Name: 2-bromo-1-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone;1-bromo-2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide
• PubChem CID: 159667783
• Molecular Formula: C55H50Br5F3N4O10
• Molecular Weight: 1383.54 g/mol
• Exact Mass: 1377.94
• IUPAC Name: 2-bromo-1-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone;1-bromo-2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide
• SMILES: COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(Br)c3)n2)ccc1OCC(N)=O.COc1ccc(C(=O)CBr)nc1-c1ccc(F)c(Br)c1.COc1ccc(C(C)(O)CBr)nc1-c1ccc(F)c(Br)c1
• InChI: InChI=1S/C26H26BrFN2O6.C15H14Br2FNO2.C14H10Br2FNO2/c1-26(33,11-10-19(31)15-5-7-20(22(13-15)35-3)36-14-24(29)32)23-9-8-21(34-2)25(30-23)16-4-6-18(28)17(27)12-16;1-15(20,8-16)13-6-5-12(21-2)14(19-13)9-3-4-11(18)10(17)7-9;1-20-13-5-4-11(12(19)7-15)18-14(13)8-2-3-10(17)9(16)6-8/h4-9,12-13,33H,10-11,14H2,1-3H3,(H2,29,32);3-7,20H,8H2,1-2H3;2-6H,7H2,1H3
• InChIKey: MTQBVVBXEWQCRE-UHFFFAOYSA-N
• XLogP: 12.90
• TPSA: 202.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1383.54
LogP ≤ 5	12.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone;1-bromo-2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide?

The IUPAC name of 2-bromo-1-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone;1-bromo-2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide (CID 159667783) is 2-bromo-1-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone;1-bromo-2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide.

What is the SMILES notation for 2-bromo-1-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone;1-bromo-2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide?

The canonical SMILES for 2-bromo-1-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone;1-bromo-2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide is COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(Br)c3)n2)ccc1OCC(N)=O.COc1ccc(C(=O)CBr)nc1-c1ccc(F)c(Br)c1.COc1ccc(C(C)(O)CBr)nc1-c1ccc(F)c(Br)c1.

What is the InChIKey of 2-bromo-1-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone;1-bromo-2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide?

The InChIKey is MTQBVVBXEWQCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrFN2O6.C15H14Br2FNO2.C14H10Br2FNO2/c1-26(33,11-10-19(31)15-5-7-20(22(13-15)35-3)36-14-24(29)32)23-9-8-21(34-2)25(30-23)16-4-6-18(28)17(27)12-16;1-15(20,8-16)13-6-5-12(21-2)14(19-13)9-3-4-11(18)10(17)7-9;1-20-13-5-4-11(12(19)7-15)18-14(13)8-2-3-10(17)9(16)6-8/h4-9,12-13,33H,10-11,14H2,1-3H3,(H2,29,32);3-7,20H,8H2,1-2H3;2-6H,7H2,1H3.

What are the key properties of 2-bromo-1-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone;1-bromo-2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide?

2-bromo-1-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone;1-bromo-2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide has a molecular weight of 1383.54 g/mol, XLogP of 12.90, 19 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone;1-bromo-2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]propan-2-ol;2-[4-[4-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 159667783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).