5-bromo-6-fluoropyridin-2-amine;5-bromo-6-fluoro-1H-pyridin-2-one;3-bromoimidazo[1,2-a]pyrazine;ethyl 2-[(5-bromo-6-fluoro-2-pyridinyl)oxy]acetate;ethyl 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;ethyl 2-hydroxyacetate;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;6-fluoropyridin-2-amine;4-methyl-3-(trifluoromethyl)aniline

C106H99BBr4F14N24O20 — CID 167645669

About 5-bromo-6-fluoropyridin-2-amine;5-bromo-6-fluoro-1H-pyridin-2-one;3-bromoimidazo[1,2-a]pyrazine;ethyl 2-[(5-bromo-6-fluoro-2-pyridinyl)oxy]acetate;ethyl 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;ethyl 2-hydroxyacetate;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;6-fluoropyridin-2-amine;4-methyl-3-(trifluoromethyl)aniline

5-bromo-6-fluoropyridin-2-amine;5-bromo-6-fluoro-1H-pyridin-2-one;3-bromoimidazo[1,2-a]pyrazine;ethyl 2-[(5-bromo-6-fluoro-2-pyridinyl)oxy]acetate;ethyl 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;ethyl 2-hydroxyacetate;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;6-fluoropyridin-2-amine;4-methyl-3-(trifluoromethyl)aniline (PubChem CID 167645669) has the molecular formula C106H99BBr4F14N24O20 and a molecular weight of 2625.51 g/mol. Its IUPAC name is 5-bromo-6-fluoropyridin-2-amine;5-bromo-6-fluoro-1H-pyridin-2-one;3-bromoimidazo[1,2-a]pyrazine;ethyl 2-[(5-bromo-6-fluoro-2-pyridinyl)oxy]acetate;ethyl 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;ethyl 2-hydroxyacetate;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;6-fluoropyridin-2-amine;4-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: 5-bromo-6-fluoropyridin-2-amine;5-bromo-6-fluoro-1H-pyridin-2-one;3-bromoimidazo[1,2-a]pyrazine;ethyl 2-[(5-bromo-6-fluoro-2-pyridinyl)oxy]acetate;ethyl 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;ethyl 2-hydroxyacetate;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;6-fluoropyridin-2-amine;4-methyl-3-(trifluoromethyl)aniline
• PubChem CID: 167645669
• Molecular Formula: C106H99BBr4F14N24O20
• Molecular Weight: 2625.51 g/mol
• Exact Mass: 2620.41
• IUPAC Name: 5-bromo-6-fluoropyridin-2-amine;5-bromo-6-fluoro-1H-pyridin-2-one;3-bromoimidazo[1,2-a]pyrazine;ethyl 2-[(5-bromo-6-fluoro-2-pyridinyl)oxy]acetate;ethyl 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;ethyl 2-hydroxyacetate;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;6-fluoropyridin-2-amine;4-methyl-3-(trifluoromethyl)aniline
• SMILES: Brc1cnc2cnccn12.CCOC(=O)CO.CCOC(=O)COc1ccc(-c2cnc3cnccn23)c(F)n1.CCOC(=O)COc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)n1.CCOC(=O)COc1ccc(Br)c(F)n1.Cc1ccc(N)cc1C(F)(F)F.Cc1ccc(NC(=O)COc2ccc(-c3cnc4cnccn34)c(F)n2)cc1C(F)(F)F.Nc1ccc(Br)c(F)n1.Nc1cccc(F)n1.O=C(O)COc1ccc(-c2cnc3cnccn23)c(F)n1.O=c1ccc(Br)c(F)[nH]1
• InChI: InChI=1S/C21H15F4N5O2.C15H21BFNO5.C15H13FN4O3.C13H9FN4O3.C9H9BrFNO3.C8H8F3N.C6H4BrN3.C5H4BrFN2.C5H3BrFNO.C5H5FN2.C4H8O3/c1-12-2-3-13(8-15(12)21(23,24)25)28-18(31)11-32-19-5-4-14(20(22)29-19)16-9-27-17-10-26-6-7-30(16)17;1-6-20-12(19)9-21-11-8-7-10(13(17)18-11)16-22-14(2,3)15(4,5)23-16;1-2-22-14(21)9-23-13-4-3-10(15(16)19-13)11-7-18-12-8-17-5-6-20(11)12;14-13-8(1-2-11(17-13)21-7-12(19)20)9-5-16-10-6-15-3-4-18(9)10;1-2-14-8(13)5-15-7-4-3-6(10)9(11)12-7;1-5-2-3-6(12)4-7(5)8(9,10)11;7-5-3-9-6-4-8-1-2-10(5)6;6-3-1-2-4(8)9-5(3)7;6-3-1-2-4(9)8-5(3)7;6-4-2-1-3-5(7)8-4;1-2-7-4(6)3-5/h2-10H,11H2,1H3,(H,28,31);7-8H,6,9H2,1-5H3;3-8H,2,9H2,1H3;1-6H,7H2,(H,19,20);3-4H,2,5H2,1H3;2-4H,12H2,1H3;1-4H;1-2H,(H2,8,9);1-2H,(H,8,9);1-3H,(H2,7,8);5H,2-3H2,1H3
• InChIKey: PVJNHYCJSJTGOC-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 578.35 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 25
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2625.51
LogP ≤ 5	18.20
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

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-6-fluoropyridin-2-amine;5-bromo-6-fluoro-1H-pyridin-2-one;3-bromoimidazo[1,2-a]pyrazine;ethyl 2-[(5-bromo-6-fluoro-2-pyridinyl)oxy]acetate;ethyl 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;ethyl 2-hydroxyacetate;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;6-fluoropyridin-2-amine;4-methyl-3-(trifluoromethyl)aniline?

The IUPAC name of 5-bromo-6-fluoropyridin-2-amine;5-bromo-6-fluoro-1H-pyridin-2-one;3-bromoimidazo[1,2-a]pyrazine;ethyl 2-[(5-bromo-6-fluoro-2-pyridinyl)oxy]acetate;ethyl 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;ethyl 2-hydroxyacetate;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;6-fluoropyridin-2-amine;4-methyl-3-(trifluoromethyl)aniline (CID 167645669) is 5-bromo-6-fluoropyridin-2-amine;5-bromo-6-fluoro-1H-pyridin-2-one;3-bromoimidazo[1,2-a]pyrazine;ethyl 2-[(5-bromo-6-fluoro-2-pyridinyl)oxy]acetate;ethyl 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;ethyl 2-hydroxyacetate;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;6-fluoropyridin-2-amine;4-methyl-3-(trifluoromethyl)aniline.

What is the SMILES notation for 5-bromo-6-fluoropyridin-2-amine;5-bromo-6-fluoro-1H-pyridin-2-one;3-bromoimidazo[1,2-a]pyrazine;ethyl 2-[(5-bromo-6-fluoro-2-pyridinyl)oxy]acetate;ethyl 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;ethyl 2-hydroxyacetate;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;6-fluoropyridin-2-amine;4-methyl-3-(trifluoromethyl)aniline?

The canonical SMILES for 5-bromo-6-fluoropyridin-2-amine;5-bromo-6-fluoro-1H-pyridin-2-one;3-bromoimidazo[1,2-a]pyrazine;ethyl 2-[(5-bromo-6-fluoro-2-pyridinyl)oxy]acetate;ethyl 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;ethyl 2-hydroxyacetate;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;6-fluoropyridin-2-amine;4-methyl-3-(trifluoromethyl)aniline is Brc1cnc2cnccn12.CCOC(=O)CO.CCOC(=O)COc1ccc(-c2cnc3cnccn23)c(F)n1.CCOC(=O)COc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)n1.CCOC(=O)COc1ccc(Br)c(F)n1.Cc1ccc(N)cc1C(F)(F)F.Cc1ccc(NC(=O)COc2ccc(-c3cnc4cnccn34)c(F)n2)cc1C(F)(F)F.Nc1ccc(Br)c(F)n1.Nc1cccc(F)n1.O=C(O)COc1ccc(-c2cnc3cnccn23)c(F)n1.O=c1ccc(Br)c(F)[nH]1.

What is the InChIKey of 5-bromo-6-fluoropyridin-2-amine;5-bromo-6-fluoro-1H-pyridin-2-one;3-bromoimidazo[1,2-a]pyrazine;ethyl 2-[(5-bromo-6-fluoro-2-pyridinyl)oxy]acetate;ethyl 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;ethyl 2-hydroxyacetate;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;6-fluoropyridin-2-amine;4-methyl-3-(trifluoromethyl)aniline?

The InChIKey is PVJNHYCJSJTGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N5O2.C15H21BFNO5.C15H13FN4O3.C13H9FN4O3.C9H9BrFNO3.C8H8F3N.C6H4BrN3.C5H4BrFN2.C5H3BrFNO.C5H5FN2.C4H8O3/c1-12-2-3-13(8-15(12)21(23,24)25)28-18(31)11-32-19-5-4-14(20(22)29-19)16-9-27-17-10-26-6-7-30(16)17;1-6-20-12(19)9-21-11-8-7-10(13(17)18-11)16-22-14(2,3)15(4,5)23-16;1-2-22-14(21)9-23-13-4-3-10(15(16)19-13)11-7-18-12-8-17-5-6-20(11)12;14-13-8(1-2-11(17-13)21-7-12(19)20)9-5-16-10-6-15-3-4-18(9)10;1-2-14-8(13)5-15-7-4-3-6(10)9(11)12-7;1-5-2-3-6(12)4-7(5)8(9,10)11;7-5-3-9-6-4-8-1-2-10(5)6;6-3-1-2-4(8)9-5(3)7;6-3-1-2-4(9)8-5(3)7;6-4-2-1-3-5(7)8-4;1-2-7-4(6)3-5/h2-10H,11H2,1H3,(H,28,31);7-8H,6,9H2,1-5H3;3-8H,2,9H2,1H3;1-6H,7H2,(H,19,20);3-4H,2,5H2,1H3;2-4H,12H2,1H3;1-4H;1-2H,(H2,8,9);1-2H,(H,8,9);1-3H,(H2,7,8);5H,2-3H2,1H3.

What are the key properties of 5-bromo-6-fluoropyridin-2-amine;5-bromo-6-fluoro-1H-pyridin-2-one;3-bromoimidazo[1,2-a]pyrazine;ethyl 2-[(5-bromo-6-fluoro-2-pyridinyl)oxy]acetate;ethyl 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;ethyl 2-hydroxyacetate;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;6-fluoropyridin-2-amine;4-methyl-3-(trifluoromethyl)aniline?

5-bromo-6-fluoropyridin-2-amine;5-bromo-6-fluoro-1H-pyridin-2-one;3-bromoimidazo[1,2-a]pyrazine;ethyl 2-[(5-bromo-6-fluoro-2-pyridinyl)oxy]acetate;ethyl 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;ethyl 2-hydroxyacetate;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;6-fluoropyridin-2-amine;4-methyl-3-(trifluoromethyl)aniline has a molecular weight of 2625.51 g/mol, XLogP of 18.20, 25 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-fluoropyridin-2-amine;5-bromo-6-fluoro-1H-pyridin-2-one;3-bromoimidazo[1,2-a]pyrazine;ethyl 2-[(5-bromo-6-fluoro-2-pyridinyl)oxy]acetate;ethyl 2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;ethyl 2-hydroxyacetate;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetic acid;2-[(6-fluoro-5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;6-fluoropyridin-2-amine;4-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 167645669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).