3-amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C89H89BBr8F15IN8O19 — CID 160875462

About 3-amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

3-amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 160875462) has the molecular formula C89H89BBr8F15IN8O19 and a molecular weight of 2636.65 g/mol. Its IUPAC name is 3-amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 3-amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 160875462
• Molecular Formula: C89H89BBr8F15IN8O19
• Molecular Weight: 2636.65 g/mol
• Exact Mass: 2627.86
• IUPAC Name: 3-amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC(F)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F.CC(F)c1cc(Br)ccc1F.CC(O)c1cc(Br)ccc1F.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(Br)n2)C(F)(F)F)ccc1OCC(N)=O.COc1ccc(C(C)=O)nc1Br.COc1ccc(C(O)(CN)C(F)(F)F)nc1Br.COc1ccc(C(O)(C[N+](=O)[O-])C(F)(F)F)nc1Br.COc1ccc(I)nc1Br.O=Cc1cc(Br)ccc1F
• InChI: InChI=1S/C20H20BrF3N2O6.C14H19BF2O2.C9H8BrF3N2O4.C9H10BrF3N2O2.C8H7BrF2.C8H8BrFO.C8H8BrNO2.C7H4BrFO.C6H5BrINO/c1-30-14-5-6-16(26-18(14)21)19(29,20(22,23)24)8-7-12(27)11-3-4-13(15(9-11)31-2)32-10-17(25)28;1-9(16)11-8-10(6-7-12(11)17)15-18-13(2,3)14(4,5)19-15;1-19-5-2-3-6(14-7(5)10)8(16,4-15(17)18)9(11,12)13;1-17-5-2-3-6(15-7(5)10)8(16,4-14)9(11,12)13;1-5(10)7-4-6(9)2-3-8(7)11;1-5(11)7-4-6(9)2-3-8(7)10;1-5(11)6-3-4-7(12-2)8(9)10-6;8-6-1-2-7(9)5(3-6)4-10;1-10-4-2-3-5(8)9-6(4)7/h3-6,9,29H,7-8,10H2,1-2H3,(H2,25,28);6-9H,1-5H3;2-3,16H,4H2,1H3;2-3,16H,4,14H2,1H3;2-5H,1H3;2-5,11H,1H3;3-4H,1-2H3;1-4H;2-3H,1H3
• InChIKey: SMIHHZLVBMBQJA-UHFFFAOYSA-N
• XLogP: 22.91
• TPSA: 391.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2636.65
LogP ≤ 5	22.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 3-amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 160875462) is 3-amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 3-amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 3-amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(F)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F.CC(F)c1cc(Br)ccc1F.CC(O)c1cc(Br)ccc1F.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(Br)n2)C(F)(F)F)ccc1OCC(N)=O.COc1ccc(C(C)=O)nc1Br.COc1ccc(C(O)(CN)C(F)(F)F)nc1Br.COc1ccc(C(O)(C[N+](=O)[O-])C(F)(F)F)nc1Br.COc1ccc(I)nc1Br.O=Cc1cc(Br)ccc1F.

What is the InChIKey of 3-amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is SMIHHZLVBMBQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrF3N2O6.C14H19BF2O2.C9H8BrF3N2O4.C9H10BrF3N2O2.C8H7BrF2.C8H8BrFO.C8H8BrNO2.C7H4BrFO.C6H5BrINO/c1-30-14-5-6-16(26-18(14)21)19(29,20(22,23)24)8-7-12(27)11-3-4-13(15(9-11)31-2)32-10-17(25)28;1-9(16)11-8-10(6-7-12(11)17)15-18-13(2,3)14(4,5)19-15;1-19-5-2-3-6(14-7(5)10)8(16,4-15(17)18)9(11,12)13;1-17-5-2-3-6(15-7(5)10)8(16,4-14)9(11,12)13;1-5(10)7-4-6(9)2-3-8(7)11;1-5(11)7-4-6(9)2-3-8(7)10;1-5(11)6-3-4-7(12-2)8(9)10-6;8-6-1-2-7(9)5(3-6)4-10;1-10-4-2-3-5(8)9-6(4)7/h3-6,9,29H,7-8,10H2,1-2H3,(H2,25,28);6-9H,1-5H3;2-3,16H,4H2,1H3;2-3,16H,4,14H2,1H3;2-5H,1H3;2-5,11H,1H3;3-4H,1-2H3;1-4H;2-3H,1H3.

What are the key properties of 3-amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

3-amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 2636.65 g/mol, XLogP of 22.91, 25 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoropropan-2-ol;5-bromo-2-fluorobenzaldehyde;4-bromo-1-fluoro-2-(1-fluoroethyl)benzene;1-(5-bromo-2-fluorophenyl)ethanol;2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)ethanone;2-[4-[4-(6-bromo-5-methoxy-2-pyridinyl)-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-(6-bromo-5-methoxy-2-pyridinyl)-1,1,1-trifluoro-3-nitropropan-2-ol;2-[4-fluoro-3-(1-fluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 160875462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).