2-bromo-4-(chloromethyl)-5-fluoropyridine;2-bromo-5-fluoropyridine;2-bromo-5-fluoropyridine-4-carbaldehyde;(2-bromo-5-fluoro-4-pyridinyl)methanol;tert-butyl N-[(2-bromo-5-fluoro-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine

C92H102BBr5ClF16N17O16 — CID 160757612

About 2-bromo-4-(chloromethyl)-5-fluoropyridine;2-bromo-5-fluoropyridine;2-bromo-5-fluoropyridine-4-carbaldehyde;(2-bromo-5-fluoro-4-pyridinyl)methanol;tert-butyl N-[(2-bromo-5-fluoro-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine

2-bromo-4-(chloromethyl)-5-fluoropyridine;2-bromo-5-fluoropyridine;2-bromo-5-fluoropyridine-4-carbaldehyde;(2-bromo-5-fluoro-4-pyridinyl)methanol;tert-butyl N-[(2-bromo-5-fluoro-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 160757612) has the molecular formula C92H102BBr5ClF16N17O16 and a molecular weight of 2451.68 g/mol. Its IUPAC name is 2-bromo-4-(chloromethyl)-5-fluoropyridine;2-bromo-5-fluoropyridine;2-bromo-5-fluoropyridine-4-carbaldehyde;(2-bromo-5-fluoro-4-pyridinyl)methanol;tert-butyl N-[(2-bromo-5-fluoro-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

• Compound Name: 2-bromo-4-(chloromethyl)-5-fluoropyridine;2-bromo-5-fluoropyridine;2-bromo-5-fluoropyridine-4-carbaldehyde;(2-bromo-5-fluoro-4-pyridinyl)methanol;tert-butyl N-[(2-bromo-5-fluoro-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine
• PubChem CID: 160757612
• Molecular Formula: C92H102BBr5ClF16N17O16
• Molecular Weight: 2451.68 g/mol
• Exact Mass: 2445.31
• IUPAC Name: 2-bromo-4-(chloromethyl)-5-fluoropyridine;2-bromo-5-fluoropyridine;2-bromo-5-fluoropyridine-4-carbaldehyde;(2-bromo-5-fluoro-4-pyridinyl)methanol;tert-butyl N-[(2-bromo-5-fluoro-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine
• SMILES: CC(C)(C)OC(=O)N(Cc1cc(-c2cnc(C(F)(F)F)nc2)ncc1F)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N(Cc1cc(Br)ncc1F)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)NC(=O)OC(C)(C)C.CC1(C)OB(c2cnc(C(F)(F)F)nc2)OC1(C)C.Fc1ccc(Br)nc1.Fc1cnc(Br)cc1CCl.NCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1F.O=Cc1cc(Br)ncc1F.OCc1cc(Br)ncc1F
• InChI: InChI=1S/C21H24F4N4O4.C16H22BrFN2O4.C11H14BF3N2O2.C11H8F4N4.C10H19NO4.C6H4BrClFN.C6H5BrFNO.C6H3BrFNO.C5H3BrFN/c1-19(2,3)32-17(30)29(18(31)33-20(4,5)6)11-12-7-15(26-10-14(12)22)13-8-27-16(28-9-13)21(23,24)25;1-15(2,3)23-13(21)20(14(22)24-16(4,5)6)9-10-7-12(17)19-8-11(10)18;1-9(2)10(3,4)19-12(18-9)7-5-16-8(17-6-7)11(13,14)15;12-8-5-17-9(1-6(8)2-16)7-3-18-10(19-4-7)11(13,14)15;1-9(2,3)14-7(12)11-8(13)15-10(4,5)6;7-6-1-4(2-8)5(9)3-10-6;2*7-6-1-4(3-10)5(8)2-9-6;6-5-2-1-4(7)3-8-5/h7-10H,11H2,1-6H3;7-8H,9H2,1-6H3;5-6H,1-4H3;1,3-5H,2,16H2;1-6H3,(H,11,12,13);1,3H,2H2;1-2,10H,3H2;1-3H;1-3H
• InChIKey: RXQFMQZSXLULRI-UHFFFAOYSA-N
• XLogP: 24.40
• TPSA: 425.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 11
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2451.68
LogP ≤ 5	24.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(chloromethyl)-5-fluoropyridine;2-bromo-5-fluoropyridine;2-bromo-5-fluoropyridine-4-carbaldehyde;(2-bromo-5-fluoro-4-pyridinyl)methanol;tert-butyl N-[(2-bromo-5-fluoro-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine?

The IUPAC name of 2-bromo-4-(chloromethyl)-5-fluoropyridine;2-bromo-5-fluoropyridine;2-bromo-5-fluoropyridine-4-carbaldehyde;(2-bromo-5-fluoro-4-pyridinyl)methanol;tert-butyl N-[(2-bromo-5-fluoro-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine (CID 160757612) is 2-bromo-4-(chloromethyl)-5-fluoropyridine;2-bromo-5-fluoropyridine;2-bromo-5-fluoropyridine-4-carbaldehyde;(2-bromo-5-fluoro-4-pyridinyl)methanol;tert-butyl N-[(2-bromo-5-fluoro-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine.

What is the SMILES notation for 2-bromo-4-(chloromethyl)-5-fluoropyridine;2-bromo-5-fluoropyridine;2-bromo-5-fluoropyridine-4-carbaldehyde;(2-bromo-5-fluoro-4-pyridinyl)methanol;tert-butyl N-[(2-bromo-5-fluoro-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine?

The canonical SMILES for 2-bromo-4-(chloromethyl)-5-fluoropyridine;2-bromo-5-fluoropyridine;2-bromo-5-fluoropyridine-4-carbaldehyde;(2-bromo-5-fluoro-4-pyridinyl)methanol;tert-butyl N-[(2-bromo-5-fluoro-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine is CC(C)(C)OC(=O)N(Cc1cc(-c2cnc(C(F)(F)F)nc2)ncc1F)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N(Cc1cc(Br)ncc1F)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)NC(=O)OC(C)(C)C.CC1(C)OB(c2cnc(C(F)(F)F)nc2)OC1(C)C.Fc1ccc(Br)nc1.Fc1cnc(Br)cc1CCl.NCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1F.O=Cc1cc(Br)ncc1F.OCc1cc(Br)ncc1F.

What is the InChIKey of 2-bromo-4-(chloromethyl)-5-fluoropyridine;2-bromo-5-fluoropyridine;2-bromo-5-fluoropyridine-4-carbaldehyde;(2-bromo-5-fluoro-4-pyridinyl)methanol;tert-butyl N-[(2-bromo-5-fluoro-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine?

The InChIKey is RXQFMQZSXLULRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F4N4O4.C16H22BrFN2O4.C11H14BF3N2O2.C11H8F4N4.C10H19NO4.C6H4BrClFN.C6H5BrFNO.C6H3BrFNO.C5H3BrFN/c1-19(2,3)32-17(30)29(18(31)33-20(4,5)6)11-12-7-15(26-10-14(12)22)13-8-27-16(28-9-13)21(23,24)25;1-15(2,3)23-13(21)20(14(22)24-16(4,5)6)9-10-7-12(17)19-8-11(10)18;1-9(2)10(3,4)19-12(18-9)7-5-16-8(17-6-7)11(13,14)15;12-8-5-17-9(1-6(8)2-16)7-3-18-10(19-4-7)11(13,14)15;1-9(2,3)14-7(12)11-8(13)15-10(4,5)6;7-6-1-4(2-8)5(9)3-10-6;2*7-6-1-4(3-10)5(8)2-9-6;6-5-2-1-4(7)3-8-5/h7-10H,11H2,1-6H3;7-8H,9H2,1-6H3;5-6H,1-4H3;1,3-5H,2,16H2;1-6H3,(H,11,12,13);1,3H,2H2;1-2,10H,3H2;1-3H;1-3H.

What are the key properties of 2-bromo-4-(chloromethyl)-5-fluoropyridine;2-bromo-5-fluoropyridine;2-bromo-5-fluoropyridine-4-carbaldehyde;(2-bromo-5-fluoro-4-pyridinyl)methanol;tert-butyl N-[(2-bromo-5-fluoro-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine?

2-bromo-4-(chloromethyl)-5-fluoropyridine;2-bromo-5-fluoropyridine;2-bromo-5-fluoropyridine-4-carbaldehyde;(2-bromo-5-fluoro-4-pyridinyl)methanol;tert-butyl N-[(2-bromo-5-fluoro-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 2451.68 g/mol, XLogP of 24.40, 11 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-(chloromethyl)-5-fluoropyridine;2-bromo-5-fluoropyridine;2-bromo-5-fluoropyridine-4-carbaldehyde;(2-bromo-5-fluoro-4-pyridinyl)methanol;tert-butyl N-[(2-bromo-5-fluoro-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 160757612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).