5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;4-methyl-3-(trifluoromethyl)aniline

C94H97BBr3F4N15O20 — CID 167672310

About 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;4-methyl-3-(trifluoromethyl)aniline

5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;4-methyl-3-(trifluoromethyl)aniline (PubChem CID 167672310) has the molecular formula C94H97BBr3F4N15O20 and a molecular weight of 2083.41 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;4-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;4-methyl-3-(trifluoromethyl)aniline
• PubChem CID: 167672310
• Molecular Formula: C94H97BBr3F4N15O20
• Molecular Weight: 2083.41 g/mol
• Exact Mass: 2079.46
• IUPAC Name: 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;4-methyl-3-(trifluoromethyl)aniline
• SMILES: Brc1cnc2ccccn12.CCOC(=O)CO.CCOC(=O)COc1ccc(-c2cnc3ccccn23)cn1.CCOC(=O)COc1ccc(-c2cnc3ccccn23)cn1.CCOC(=O)COc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CCOC(=O)COc1ccc(Br)cn1.Cc1ccc(N)cc1C(F)(F)F.Fc1ccc(Br)cn1.O=C(O)COc1ccc(-c2cnc3ccccn23)cn1
• InChI: InChI=1S/2C16H15N3O3.C15H22BNO5.C14H11N3O3.C9H10BrNO3.C8H8F3N.C7H5BrN2.C5H3BrFN.C4H8O3/c2*1-2-21-16(20)11-22-15-7-6-12(9-18-15)13-10-17-14-5-3-4-8-19(13)14;1-6-19-13(18)10-20-12-8-7-11(9-17-12)16-21-14(2,3)15(4,5)22-16;18-14(19)9-20-13-5-4-10(7-16-13)11-8-15-12-3-1-2-6-17(11)12;1-2-13-9(12)6-14-8-4-3-7(10)5-11-8;1-5-2-3-6(12)4-7(5)8(9,10)11;8-6-5-9-7-3-1-2-4-10(6)7;6-4-1-2-5(7)8-3-4;1-2-7-4(6)3-5/h2*3-10H,2,11H2,1H3;7-9H,6,10H2,1-5H3;1-8H,9H2,(H,18,19);3-5H,2,6H2,1H3;2-4H,12H2,1H3;1-5H;1-3H;5H,2-3H2,1H3
• InChIKey: UHMHDMZUOXHHRS-UHFFFAOYSA-N
• XLogP: 15.86
• TPSA: 426.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2083.41
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;4-methyl-3-(trifluoromethyl)aniline?

The IUPAC name of 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;4-methyl-3-(trifluoromethyl)aniline (CID 167672310) is 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;4-methyl-3-(trifluoromethyl)aniline.

What is the SMILES notation for 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;4-methyl-3-(trifluoromethyl)aniline?

The canonical SMILES for 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;4-methyl-3-(trifluoromethyl)aniline is Brc1cnc2ccccn12.CCOC(=O)CO.CCOC(=O)COc1ccc(-c2cnc3ccccn23)cn1.CCOC(=O)COc1ccc(-c2cnc3ccccn23)cn1.CCOC(=O)COc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CCOC(=O)COc1ccc(Br)cn1.Cc1ccc(N)cc1C(F)(F)F.Fc1ccc(Br)cn1.O=C(O)COc1ccc(-c2cnc3ccccn23)cn1.

What is the InChIKey of 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;4-methyl-3-(trifluoromethyl)aniline?

The InChIKey is UHMHDMZUOXHHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H15N3O3.C15H22BNO5.C14H11N3O3.C9H10BrNO3.C8H8F3N.C7H5BrN2.C5H3BrFN.C4H8O3/c2*1-2-21-16(20)11-22-15-7-6-12(9-18-15)13-10-17-14-5-3-4-8-19(13)14;1-6-19-13(18)10-20-12-8-7-11(9-17-12)16-21-14(2,3)15(4,5)22-16;18-14(19)9-20-13-5-4-10(7-16-13)11-8-15-12-3-1-2-6-17(11)12;1-2-13-9(12)6-14-8-4-3-7(10)5-11-8;1-5-2-3-6(12)4-7(5)8(9,10)11;8-6-5-9-7-3-1-2-4-10(6)7;6-4-1-2-5(7)8-3-4;1-2-7-4(6)3-5/h2*3-10H,2,11H2,1H3;7-9H,6,10H2,1-5H3;1-8H,9H2,(H,18,19);3-5H,2,6H2,1H3;2-4H,12H2,1H3;1-5H;1-3H;5H,2-3H2,1H3.

What are the key properties of 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;4-methyl-3-(trifluoromethyl)aniline?

5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;4-methyl-3-(trifluoromethyl)aniline has a molecular weight of 2083.41 g/mol, XLogP of 15.86, 25 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-fluoropyridine;3-bromoimidazo[1,2-a]pyridine;ethyl 2-[(5-bromo-2-pyridinyl)oxy]acetate;ethyl 2-hydroxyacetate;bis(ethyl 2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetate);ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;2-[(5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)oxy]acetic acid;4-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 167672310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).