6-bromo-3-fluoro-2-methylpyridine;6-(4-bromo-1-methylpyrazol-3-yl)-3-fluoro-2-methylpyridine;ethane;3-fluoro-2-methyl-6-(1-methylpyrazol-3-yl)pyridine;3-fluoro-2-methyl-6-(1H-pyrazol-5-yl)pyridine;6-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;iodomethane;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C79H85B2Br2F5IN21O4 — CID 159106463

About 6-bromo-3-fluoro-2-methylpyridine;6-(4-bromo-1-methylpyrazol-3-yl)-3-fluoro-2-methylpyridine;ethane;3-fluoro-2-methyl-6-(1-methylpyrazol-3-yl)pyridine;3-fluoro-2-methyl-6-(1H-pyrazol-5-yl)pyridine;6-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;iodomethane;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

6-bromo-3-fluoro-2-methylpyridine;6-(4-bromo-1-methylpyrazol-3-yl)-3-fluoro-2-methylpyridine;ethane;3-fluoro-2-methyl-6-(1-methylpyrazol-3-yl)pyridine;3-fluoro-2-methyl-6-(1H-pyrazol-5-yl)pyridine;6-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;iodomethane;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 159106463) has the molecular formula C79H85B2Br2F5IN21O4 and a molecular weight of 1796.02 g/mol. Its IUPAC name is 6-bromo-3-fluoro-2-methylpyridine;6-(4-bromo-1-methylpyrazol-3-yl)-3-fluoro-2-methylpyridine;ethane;3-fluoro-2-methyl-6-(1-methylpyrazol-3-yl)pyridine;3-fluoro-2-methyl-6-(1H-pyrazol-5-yl)pyridine;6-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;iodomethane;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

• Compound Name: 6-bromo-3-fluoro-2-methylpyridine;6-(4-bromo-1-methylpyrazol-3-yl)-3-fluoro-2-methylpyridine;ethane;3-fluoro-2-methyl-6-(1-methylpyrazol-3-yl)pyridine;3-fluoro-2-methyl-6-(1H-pyrazol-5-yl)pyridine;6-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;iodomethane;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 159106463
• Molecular Formula: C79H85B2Br2F5IN21O4
• Molecular Weight: 1796.02 g/mol
• Exact Mass: 1793.46
• IUPAC Name: 6-bromo-3-fluoro-2-methylpyridine;6-(4-bromo-1-methylpyrazol-3-yl)-3-fluoro-2-methylpyridine;ethane;3-fluoro-2-methyl-6-(1-methylpyrazol-3-yl)pyridine;3-fluoro-2-methyl-6-(1H-pyrazol-5-yl)pyridine;6-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;iodomethane;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: CC.CC1(C)OB(c2ccn[nH]2)OC1(C)C.CI.Cc1nc(-c2ccn(C)n2)ccc1F.Cc1nc(-c2ccn[nH]2)ccc1F.Cc1nc(-c2nn(C)cc2Br)ccc1F.Cc1nc(Br)ccc1F.[C-]#[N+]c1cnc2ccc(-c3cn(C)nc3-c3ccc(F)c(C)n3)cn12.[C-]#[N+]c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12
• InChI: InChI=1S/C18H13FN6.C14H16BN3O2.C10H9BrFN3.C10H10FN3.C9H15BN2O2.C9H8FN3.C6H5BrFN.C2H6.CH3I/c1-11-14(19)5-6-15(22-11)18-13(10-24(3)23-18)12-4-7-16-21-8-17(20-2)25(16)9-12;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;1-6-8(12)3-4-9(13-6)10-7(11)5-15(2)14-10;1-7-8(11)3-4-9(12-7)10-5-6-14(2)13-10;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;1-6-7(10)2-3-8(12-6)9-4-5-11-13-9;1-4-5(8)2-3-6(7)9-4;2*1-2/h4-10H,1,3H3;6-9H,1-4H3;3-5H,1-2H3;3-6H,1-2H3;5-6H,1-4H3,(H,11,12);2-5H,1H3,(H,11,13);2-3H,1H3;1-2H3;1H3
• InChIKey: KDYIOLXEOOQPIF-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 255.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 7
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1796.02
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-2-methylpyridine;6-(4-bromo-1-methylpyrazol-3-yl)-3-fluoro-2-methylpyridine;ethane;3-fluoro-2-methyl-6-(1-methylpyrazol-3-yl)pyridine;3-fluoro-2-methyl-6-(1H-pyrazol-5-yl)pyridine;6-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;iodomethane;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The IUPAC name of 6-bromo-3-fluoro-2-methylpyridine;6-(4-bromo-1-methylpyrazol-3-yl)-3-fluoro-2-methylpyridine;ethane;3-fluoro-2-methyl-6-(1-methylpyrazol-3-yl)pyridine;3-fluoro-2-methyl-6-(1H-pyrazol-5-yl)pyridine;6-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;iodomethane;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 159106463) is 6-bromo-3-fluoro-2-methylpyridine;6-(4-bromo-1-methylpyrazol-3-yl)-3-fluoro-2-methylpyridine;ethane;3-fluoro-2-methyl-6-(1-methylpyrazol-3-yl)pyridine;3-fluoro-2-methyl-6-(1H-pyrazol-5-yl)pyridine;6-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;iodomethane;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

What is the SMILES notation for 6-bromo-3-fluoro-2-methylpyridine;6-(4-bromo-1-methylpyrazol-3-yl)-3-fluoro-2-methylpyridine;ethane;3-fluoro-2-methyl-6-(1-methylpyrazol-3-yl)pyridine;3-fluoro-2-methyl-6-(1H-pyrazol-5-yl)pyridine;6-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;iodomethane;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The canonical SMILES for 6-bromo-3-fluoro-2-methylpyridine;6-(4-bromo-1-methylpyrazol-3-yl)-3-fluoro-2-methylpyridine;ethane;3-fluoro-2-methyl-6-(1-methylpyrazol-3-yl)pyridine;3-fluoro-2-methyl-6-(1H-pyrazol-5-yl)pyridine;6-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;iodomethane;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is CC.CC1(C)OB(c2ccn[nH]2)OC1(C)C.CI.Cc1nc(-c2ccn(C)n2)ccc1F.Cc1nc(-c2ccn[nH]2)ccc1F.Cc1nc(-c2nn(C)cc2Br)ccc1F.Cc1nc(Br)ccc1F.[C-]#[N+]c1cnc2ccc(-c3cn(C)nc3-c3ccc(F)c(C)n3)cn12.[C-]#[N+]c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12.

What is the InChIKey of 6-bromo-3-fluoro-2-methylpyridine;6-(4-bromo-1-methylpyrazol-3-yl)-3-fluoro-2-methylpyridine;ethane;3-fluoro-2-methyl-6-(1-methylpyrazol-3-yl)pyridine;3-fluoro-2-methyl-6-(1H-pyrazol-5-yl)pyridine;6-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;iodomethane;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is KDYIOLXEOOQPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6.C14H16BN3O2.C10H9BrFN3.C10H10FN3.C9H15BN2O2.C9H8FN3.C6H5BrFN.C2H6.CH3I/c1-11-14(19)5-6-15(22-11)18-13(10-24(3)23-18)12-4-7-16-21-8-17(20-2)25(16)9-12;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;1-6-8(12)3-4-9(13-6)10-7(11)5-15(2)14-10;1-7-8(11)3-4-9(12-7)10-5-6-14(2)13-10;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;1-6-7(10)2-3-8(12-6)9-4-5-11-13-9;1-4-5(8)2-3-6(7)9-4;2*1-2/h4-10H,1,3H3;6-9H,1-4H3;3-5H,1-2H3;3-6H,1-2H3;5-6H,1-4H3,(H,11,12);2-5H,1H3,(H,11,13);2-3H,1H3;1-2H3;1H3.

What are the key properties of 6-bromo-3-fluoro-2-methylpyridine;6-(4-bromo-1-methylpyrazol-3-yl)-3-fluoro-2-methylpyridine;ethane;3-fluoro-2-methyl-6-(1-methylpyrazol-3-yl)pyridine;3-fluoro-2-methyl-6-(1H-pyrazol-5-yl)pyridine;6-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;iodomethane;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

6-bromo-3-fluoro-2-methylpyridine;6-(4-bromo-1-methylpyrazol-3-yl)-3-fluoro-2-methylpyridine;ethane;3-fluoro-2-methyl-6-(1-methylpyrazol-3-yl)pyridine;3-fluoro-2-methyl-6-(1H-pyrazol-5-yl)pyridine;6-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;iodomethane;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 1796.02 g/mol, XLogP of 17.60, 7 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-fluoro-2-methylpyridine;6-(4-bromo-1-methylpyrazol-3-yl)-3-fluoro-2-methylpyridine;ethane;3-fluoro-2-methyl-6-(1-methylpyrazol-3-yl)pyridine;3-fluoro-2-methyl-6-(1H-pyrazol-5-yl)pyridine;6-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-methylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;iodomethane;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 159106463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).