2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 3-(2-cyanopropan-2-yl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;ethynyl(trimethyl)silane;6-fluoro-1H-pyrrolo[3,2-b]pyridine;2-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-fluoro-2-(2-trimethylsilylethynyl)pyridin-3-amine;2-methylpropan-2-ol;iodide

C91H107BrF8IN21O5Si2 — CID 159760743

About 2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 3-(2-cyanopropan-2-yl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;ethynyl(trimethyl)silane;6-fluoro-1H-pyrrolo[3,2-b]pyridine;2-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-fluoro-2-(2-trimethylsilylethynyl)pyridin-3-amine;2-methylpropan-2-ol;iodide

2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 3-(2-cyanopropan-2-yl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;ethynyl(trimethyl)silane;6-fluoro-1H-pyrrolo[3,2-b]pyridine;2-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-fluoro-2-(2-trimethylsilylethynyl)pyridin-3-amine;2-methylpropan-2-ol;iodide (PubChem CID 159760743) has the molecular formula C91H107BrF8IN21O5Si2 and a molecular weight of 1989.96 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 3-(2-cyanopropan-2-yl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;ethynyl(trimethyl)silane;6-fluoro-1H-pyrrolo[3,2-b]pyridine;2-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-fluoro-2-(2-trimethylsilylethynyl)pyridin-3-amine;2-methylpropan-2-ol;iodide.

Molecular Properties

• Compound Name: 2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 3-(2-cyanopropan-2-yl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;ethynyl(trimethyl)silane;6-fluoro-1H-pyrrolo[3,2-b]pyridine;2-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-fluoro-2-(2-trimethylsilylethynyl)pyridin-3-amine;2-methylpropan-2-ol;iodide
• PubChem CID: 159760743
• Molecular Formula: C91H107BrF8IN21O5Si2
• Molecular Weight: 1989.96 g/mol
• Exact Mass: 1987.64
• IUPAC Name: 2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 3-(2-cyanopropan-2-yl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;ethynyl(trimethyl)silane;6-fluoro-1H-pyrrolo[3,2-b]pyridine;2-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-fluoro-2-(2-trimethylsilylethynyl)pyridin-3-amine;2-methylpropan-2-ol;iodide
• SMILES: C#C[Si](C)(C)C.CC(C)(C)O.CC(C)(C)OC(=O)n1cc(C(C)(C)C#N)c2ncc(F)cc21.CC(C)(C)OC(=O)n1cc(CC#N)c2ncc(F)cc21.CN(C)Cc1c[nH]c2cc(F)cnc12.C[N+](C)(C)Cc1c[nH]c2cc(F)cnc12.C[Si](C)(C)C#Cc1ncc(F)cc1N.Fc1cnc2cc[nH]c2c1.N#CCc1c[nH]c2cc(F)cnc12.Nc1cc(F)cnc1Br.[I-]
• InChI: InChI=1S/C16H18FN3O2.C14H14FN3O2.C11H15FN3.C10H12FN3.C10H13FN2Si.C9H6FN3.C7H5FN2.C5H4BrFN2.C5H10Si.C4H10O.HI/c1-15(2,3)22-14(21)20-8-11(16(4,5)9-18)13-12(20)6-10(17)7-19-13;1-14(2,3)20-13(19)18-8-9(4-5-16)12-11(18)6-10(15)7-17-12;1-15(2,3)7-8-5-13-10-4-9(12)6-14-11(8)10;1-14(2)6-7-4-12-9-3-8(11)5-13-10(7)9;1-14(2,3)5-4-10-9(12)6-8(11)7-13-10;10-7-3-8-9(13-5-7)6(1-2-11)4-12-8;8-5-3-7-6(10-4-5)1-2-9-7;6-5-4(8)1-3(7)2-9-5;1-5-6(2,3)4;1-4(2,3)5;/h6-8H,1-5H3;6-8H,4H2,1-3H3;4-6,13H,7H2,1-3H3;3-5,12H,6H2,1-2H3;6-7H,12H2,1-3H3;3-5,12H,1H2;1-4,9H;1-2H,8H2;1H,2-4H3;5H,1-3H3;1H/q;;+1;;;;;;;;/p-1
• InChIKey: FGDDSXFLQRYLHC-UHFFFAOYSA-M
• XLogP: 16.80
• TPSA: 375.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 7
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1989.96
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 3-(2-cyanopropan-2-yl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;ethynyl(trimethyl)silane;6-fluoro-1H-pyrrolo[3,2-b]pyridine;2-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-fluoro-2-(2-trimethylsilylethynyl)pyridin-3-amine;2-methylpropan-2-ol;iodide?

The IUPAC name of 2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 3-(2-cyanopropan-2-yl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;ethynyl(trimethyl)silane;6-fluoro-1H-pyrrolo[3,2-b]pyridine;2-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-fluoro-2-(2-trimethylsilylethynyl)pyridin-3-amine;2-methylpropan-2-ol;iodide (CID 159760743) is 2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 3-(2-cyanopropan-2-yl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;ethynyl(trimethyl)silane;6-fluoro-1H-pyrrolo[3,2-b]pyridine;2-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-fluoro-2-(2-trimethylsilylethynyl)pyridin-3-amine;2-methylpropan-2-ol;iodide.

What is the SMILES notation for 2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 3-(2-cyanopropan-2-yl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;ethynyl(trimethyl)silane;6-fluoro-1H-pyrrolo[3,2-b]pyridine;2-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-fluoro-2-(2-trimethylsilylethynyl)pyridin-3-amine;2-methylpropan-2-ol;iodide?

The canonical SMILES for 2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 3-(2-cyanopropan-2-yl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;ethynyl(trimethyl)silane;6-fluoro-1H-pyrrolo[3,2-b]pyridine;2-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-fluoro-2-(2-trimethylsilylethynyl)pyridin-3-amine;2-methylpropan-2-ol;iodide is C#C[Si](C)(C)C.CC(C)(C)O.CC(C)(C)OC(=O)n1cc(C(C)(C)C#N)c2ncc(F)cc21.CC(C)(C)OC(=O)n1cc(CC#N)c2ncc(F)cc21.CN(C)Cc1c[nH]c2cc(F)cnc12.C[N+](C)(C)Cc1c[nH]c2cc(F)cnc12.C[Si](C)(C)C#Cc1ncc(F)cc1N.Fc1cnc2cc[nH]c2c1.N#CCc1c[nH]c2cc(F)cnc12.Nc1cc(F)cnc1Br.[I-].

What is the InChIKey of 2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 3-(2-cyanopropan-2-yl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;ethynyl(trimethyl)silane;6-fluoro-1H-pyrrolo[3,2-b]pyridine;2-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-fluoro-2-(2-trimethylsilylethynyl)pyridin-3-amine;2-methylpropan-2-ol;iodide?

The InChIKey is FGDDSXFLQRYLHC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H18FN3O2.C14H14FN3O2.C11H15FN3.C10H12FN3.C10H13FN2Si.C9H6FN3.C7H5FN2.C5H4BrFN2.C5H10Si.C4H10O.HI/c1-15(2,3)22-14(21)20-8-11(16(4,5)9-18)13-12(20)6-10(17)7-19-13;1-14(2,3)20-13(19)18-8-9(4-5-16)12-11(18)6-10(15)7-17-12;1-15(2,3)7-8-5-13-10-4-9(12)6-14-11(8)10;1-14(2)6-7-4-12-9-3-8(11)5-13-10(7)9;1-14(2,3)5-4-10-9(12)6-8(11)7-13-10;10-7-3-8-9(13-5-7)6(1-2-11)4-12-8;8-5-3-7-6(10-4-5)1-2-9-7;6-5-4(8)1-3(7)2-9-5;1-5-6(2,3)4;1-4(2,3)5;/h6-8H,1-5H3;6-8H,4H2,1-3H3;4-6,13H,7H2,1-3H3;3-5,12H,6H2,1-2H3;6-7H,12H2,1-3H3;3-5,12H,1H2;1-4,9H;1-2H,8H2;1H,2-4H3;5H,1-3H3;1H/q;;+1;;;;;;;;/p-1.

What are the key properties of 2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 3-(2-cyanopropan-2-yl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;ethynyl(trimethyl)silane;6-fluoro-1H-pyrrolo[3,2-b]pyridine;2-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-fluoro-2-(2-trimethylsilylethynyl)pyridin-3-amine;2-methylpropan-2-ol;iodide?

2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 3-(2-cyanopropan-2-yl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;ethynyl(trimethyl)silane;6-fluoro-1H-pyrrolo[3,2-b]pyridine;2-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-fluoro-2-(2-trimethylsilylethynyl)pyridin-3-amine;2-methylpropan-2-ol;iodide has a molecular weight of 1989.96 g/mol, XLogP of 16.80, 7 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;tert-butyl 3-(2-cyanopropan-2-yl)-6-fluoropyrrolo[3,2-b]pyridine-1-carboxylate;ethynyl(trimethyl)silane;6-fluoro-1H-pyrrolo[3,2-b]pyridine;2-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;1-(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-fluoro-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl-trimethylazanium;5-fluoro-2-(2-trimethylsilylethynyl)pyridin-3-amine;2-methylpropan-2-ol;iodide is sourced from PubChem (CID 159760743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).