2-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol;N-fluorooxolan-2-amine;methyl 5-bromopyridine-3-carboxylate;bis(octane);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]boronic acid;trimethyl(trifluoromethyl)silane

C59H99B3Br2F10N4O11Si — CID 158913201

About 2-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol;N-fluorooxolan-2-amine;methyl 5-bromopyridine-3-carboxylate;bis(octane);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]boronic acid;trimethyl(trifluoromethyl)silane

2-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol;N-fluorooxolan-2-amine;methyl 5-bromopyridine-3-carboxylate;bis(octane);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]boronic acid;trimethyl(trifluoromethyl)silane (PubChem CID 158913201) has the molecular formula C59H99B3Br2F10N4O11Si and a molecular weight of 1450.77 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol;N-fluorooxolan-2-amine;methyl 5-bromopyridine-3-carboxylate;bis(octane);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]boronic acid;trimethyl(trifluoromethyl)silane.

Molecular Properties

• Compound Name: 2-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol;N-fluorooxolan-2-amine;methyl 5-bromopyridine-3-carboxylate;bis(octane);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]boronic acid;trimethyl(trifluoromethyl)silane
• PubChem CID: 158913201
• Molecular Formula: C59H99B3Br2F10N4O11Si
• Molecular Weight: 1450.77 g/mol
• Exact Mass: 1448.56
• IUPAC Name: 2-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol;N-fluorooxolan-2-amine;methyl 5-bromopyridine-3-carboxylate;bis(octane);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]boronic acid;trimethyl(trifluoromethyl)silane
• SMILES: CC(O)(c1cncc(B(O)O)c1)C(F)(F)F.CC(O)(c1cncc(Br)c1)C(F)(F)F.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCCCCCC.CCCCCCCC.COC(=O)c1cncc(Br)c1.C[Si](C)(C)C(F)(F)F.FNC1CCCO1
• InChI: InChI=1S/C12H24B2O4.C8H9BF3NO3.C8H7BrF3NO.2C8H18.C7H6BrNO2.C4H9F3Si.C4H8FNO/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-7(14,8(10,11)12)5-2-6(9(15)16)4-13-3-5;1-7(14,8(10,11)12)5-2-6(9)4-13-3-5;2*1-3-5-7-8-6-4-2;1-11-7(10)5-2-6(8)4-9-3-5;1-8(2,3)4(5,6)7;5-6-4-2-1-3-7-4/h1-8H3;2-4,14-16H,1H3;2-4,14H,1H3;2*3-8H2,1-2H3;2-4H,1H3;1-3H3;4,6H,1-3H2
• InChIKey: JGXGVNXPEPDPCO-UHFFFAOYSA-N
• XLogP: 15.78
• TPSA: 204.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1450.77
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol;N-fluorooxolan-2-amine;methyl 5-bromopyridine-3-carboxylate;bis(octane);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]boronic acid;trimethyl(trifluoromethyl)silane?

The IUPAC name of 2-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol;N-fluorooxolan-2-amine;methyl 5-bromopyridine-3-carboxylate;bis(octane);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]boronic acid;trimethyl(trifluoromethyl)silane (CID 158913201) is 2-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol;N-fluorooxolan-2-amine;methyl 5-bromopyridine-3-carboxylate;bis(octane);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]boronic acid;trimethyl(trifluoromethyl)silane.

What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol;N-fluorooxolan-2-amine;methyl 5-bromopyridine-3-carboxylate;bis(octane);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]boronic acid;trimethyl(trifluoromethyl)silane?

The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol;N-fluorooxolan-2-amine;methyl 5-bromopyridine-3-carboxylate;bis(octane);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]boronic acid;trimethyl(trifluoromethyl)silane is CC(O)(c1cncc(B(O)O)c1)C(F)(F)F.CC(O)(c1cncc(Br)c1)C(F)(F)F.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCCCCCC.CCCCCCCC.COC(=O)c1cncc(Br)c1.C[Si](C)(C)C(F)(F)F.FNC1CCCO1.

What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol;N-fluorooxolan-2-amine;methyl 5-bromopyridine-3-carboxylate;bis(octane);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]boronic acid;trimethyl(trifluoromethyl)silane?

The InChIKey is JGXGVNXPEPDPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24B2O4.C8H9BF3NO3.C8H7BrF3NO.2C8H18.C7H6BrNO2.C4H9F3Si.C4H8FNO/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-7(14,8(10,11)12)5-2-6(9(15)16)4-13-3-5;1-7(14,8(10,11)12)5-2-6(9)4-13-3-5;2*1-3-5-7-8-6-4-2;1-11-7(10)5-2-6(8)4-9-3-5;1-8(2,3)4(5,6)7;5-6-4-2-1-3-7-4/h1-8H3;2-4,14-16H,1H3;2-4,14H,1H3;2*3-8H2,1-2H3;2-4H,1H3;1-3H3;4,6H,1-3H2.

What are the key properties of 2-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol;N-fluorooxolan-2-amine;methyl 5-bromopyridine-3-carboxylate;bis(octane);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]boronic acid;trimethyl(trifluoromethyl)silane?

2-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol;N-fluorooxolan-2-amine;methyl 5-bromopyridine-3-carboxylate;bis(octane);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]boronic acid;trimethyl(trifluoromethyl)silane has a molecular weight of 1450.77 g/mol, XLogP of 15.78, 16 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol;N-fluorooxolan-2-amine;methyl 5-bromopyridine-3-carboxylate;bis(octane);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-pyridinyl]boronic acid;trimethyl(trifluoromethyl)silane is sourced from PubChem (CID 158913201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).