2-bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;N-methoxy-N-methylpyrimidine-5-carboxamide;2-methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol

C66H51BrF11N13O8 — CID 160886272

About 2-bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;N-methoxy-N-methylpyrimidine-5-carboxamide;2-methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol

2-bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;N-methoxy-N-methylpyrimidine-5-carboxamide;2-methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol (PubChem CID 160886272) has the molecular formula C66H51BrF11N13O8 and a molecular weight of 1443.10 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;N-methoxy-N-methylpyrimidine-5-carboxamide;2-methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol.

Molecular Properties

• Compound Name: 2-bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;N-methoxy-N-methylpyrimidine-5-carboxamide;2-methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol
• PubChem CID: 160886272
• Molecular Formula: C66H51BrF11N13O8
• Molecular Weight: 1443.10 g/mol
• Exact Mass: 1441.30
• IUPAC Name: 2-bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;N-methoxy-N-methylpyrimidine-5-carboxamide;2-methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol
• SMILES: CC(C)C(O)(c1cncnc1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cn1.CON(C)C(=O)c1cncnc1.Fc1ccc(Br)nc1.O=C(c1cncnc1)c1ccc(F)cn1.O=C(c1cncnc1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cn1.Oc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C20H18F3N3O2.C17H10F3N3O2.C10H6FN3O.C7H5F3O.C7H9N3O2.C5H3BrFN/c1-13(2)19(27,15-9-24-12-25-10-15)18-8-7-17(11-26-18)28-16-5-3-14(4-6-16)20(21,22)23;18-17(19,20)12-1-3-13(4-2-12)25-14-5-6-15(23-9-14)16(24)11-7-21-10-22-8-11;11-8-1-2-9(14-5-8)10(15)7-3-12-6-13-4-7;8-7(9,10)5-1-3-6(11)4-2-5;1-10(12-2)7(11)6-3-8-5-9-4-6;6-5-2-1-4(7)3-8-5/h3-13,27H,1-2H3;1-10H;1-6H;1-4,11H;3-5H,1-2H3;1-3H
• InChIKey: SNRGBIUELPJUKV-UHFFFAOYSA-N
• XLogP: 14.23
• TPSA: 277.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1443.10
LogP ≤ 5	14.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;N-methoxy-N-methylpyrimidine-5-carboxamide;2-methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol?

The IUPAC name of 2-bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;N-methoxy-N-methylpyrimidine-5-carboxamide;2-methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol (CID 160886272) is 2-bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;N-methoxy-N-methylpyrimidine-5-carboxamide;2-methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol.

What is the SMILES notation for 2-bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;N-methoxy-N-methylpyrimidine-5-carboxamide;2-methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol?

The canonical SMILES for 2-bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;N-methoxy-N-methylpyrimidine-5-carboxamide;2-methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol is CC(C)C(O)(c1cncnc1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cn1.CON(C)C(=O)c1cncnc1.Fc1ccc(Br)nc1.O=C(c1cncnc1)c1ccc(F)cn1.O=C(c1cncnc1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cn1.Oc1ccc(C(F)(F)F)cc1.

What is the InChIKey of 2-bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;N-methoxy-N-methylpyrimidine-5-carboxamide;2-methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol?

The InChIKey is SNRGBIUELPJUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2.C17H10F3N3O2.C10H6FN3O.C7H5F3O.C7H9N3O2.C5H3BrFN/c1-13(2)19(27,15-9-24-12-25-10-15)18-8-7-17(11-26-18)28-16-5-3-14(4-6-16)20(21,22)23;18-17(19,20)12-1-3-13(4-2-12)25-14-5-6-15(23-9-14)16(24)11-7-21-10-22-8-11;11-8-1-2-9(14-5-8)10(15)7-3-12-6-13-4-7;8-7(9,10)5-1-3-6(11)4-2-5;1-10(12-2)7(11)6-3-8-5-9-4-6;6-5-2-1-4(7)3-8-5/h3-13,27H,1-2H3;1-10H;1-6H;1-4,11H;3-5H,1-2H3;1-3H.

What are the key properties of 2-bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;N-methoxy-N-methylpyrimidine-5-carboxamide;2-methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol?

2-bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;N-methoxy-N-methylpyrimidine-5-carboxamide;2-methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol has a molecular weight of 1443.10 g/mol, XLogP of 14.23, 13 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-fluoropyridine;(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;N-methoxy-N-methylpyrimidine-5-carboxamide;2-methyl-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]propan-1-ol;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol is sourced from PubChem (CID 160886272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).