2-bromo-6-fluoropyridine;2-fluoro-6-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]pyridine;2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine

C53H48BBrF2N4O2 — CID 163950416

About 2-bromo-6-fluoropyridine;2-fluoro-6-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]pyridine;2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine

2-bromo-6-fluoropyridine;2-fluoro-6-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]pyridine;2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine (PubChem CID 163950416) has the molecular formula C53H48BBrF2N4O2 and a molecular weight of 901.71 g/mol. Its IUPAC name is 2-bromo-6-fluoropyridine;2-fluoro-6-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]pyridine;2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine.

Molecular Properties

• Compound Name: 2-bromo-6-fluoropyridine;2-fluoro-6-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]pyridine;2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine
• PubChem CID: 163950416
• Molecular Formula: C53H48BBrF2N4O2
• Molecular Weight: 901.71 g/mol
• Exact Mass: 900.30
• IUPAC Name: 2-bromo-6-fluoropyridine;2-fluoro-6-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]pyridine;2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine
• SMILES: CC(c1ccccc1)(c1cccc(-c2cccc(F)n2)c1)c1ccccn1.CC1(C)OB(c2cccc(C(c3ccccc3)c3ccccn3)c2)OC1(C)C.Fc1cccc(Br)n1
• InChI: InChI=1S/C24H26BNO2.C24H19FN2.C5H3BrFN/c1-23(2)24(3,4)28-25(27-23)20-14-10-13-19(17-20)22(18-11-6-5-7-12-18)21-15-8-9-16-26-21;1-24(19-10-3-2-4-11-19,22-14-5-6-16-26-22)20-12-7-9-18(17-20)21-13-8-15-23(25)27-21;6-4-2-1-3-5(7)8-4/h5-17,22H,1-4H3;2-17H,1H3;1-3H
• InChIKey: RYUYRNIEZMEETB-UHFFFAOYSA-N
• XLogP: 12.18
• TPSA: 70.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.71
LogP ≤ 5	12.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoropyridine;2-fluoro-6-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]pyridine;2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine?

The IUPAC name of 2-bromo-6-fluoropyridine;2-fluoro-6-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]pyridine;2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine (CID 163950416) is 2-bromo-6-fluoropyridine;2-fluoro-6-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]pyridine;2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine.

What is the SMILES notation for 2-bromo-6-fluoropyridine;2-fluoro-6-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]pyridine;2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine?

The canonical SMILES for 2-bromo-6-fluoropyridine;2-fluoro-6-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]pyridine;2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine is CC(c1ccccc1)(c1cccc(-c2cccc(F)n2)c1)c1ccccn1.CC1(C)OB(c2cccc(C(c3ccccc3)c3ccccn3)c2)OC1(C)C.Fc1cccc(Br)n1.

What is the InChIKey of 2-bromo-6-fluoropyridine;2-fluoro-6-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]pyridine;2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine?

The InChIKey is RYUYRNIEZMEETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BNO2.C24H19FN2.C5H3BrFN/c1-23(2)24(3,4)28-25(27-23)20-14-10-13-19(17-20)22(18-11-6-5-7-12-18)21-15-8-9-16-26-21;1-24(19-10-3-2-4-11-19,22-14-5-6-16-26-22)20-12-7-9-18(17-20)21-13-8-15-23(25)27-21;6-4-2-1-3-5(7)8-4/h5-17,22H,1-4H3;2-17H,1H3;1-3H.

What are the key properties of 2-bromo-6-fluoropyridine;2-fluoro-6-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]pyridine;2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine?

2-bromo-6-fluoropyridine;2-fluoro-6-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]pyridine;2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine has a molecular weight of 901.71 g/mol, XLogP of 12.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-fluoropyridine;2-fluoro-6-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]pyridine;2-[phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyridine is sourced from PubChem (CID 163950416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).