potassium;2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-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-olate;iodide

C75H88BrF7IKN18O3Si2 — CID 159267425

IUPACpotassium;2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-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-olate;iodide
SMILESC#C[Si](C)(C)C.CC(C)(C)OC(=O)n1cc(CC#N)c2ncc(F)cc21.CC(C)(C)[O-].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-].[K+]
InChIInChI=1S/C14H14FN3O2.C11H15FN3.C10H12FN3.C10H13FN2Si.C9H6FN3.C7H5FN2.C5H4BrFN2.C5H10Si.C4H9O.HI.K/c1-14(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,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;1-3H3;1H;/q;+1;;;;;;;-1;;+1/p-1
InChIKeyOMQCOFLFDIDVDS-UHFFFAOYSA-M
MW1724.72 g/mol
LogP9.41
Rot. Bonds6

About potassium;2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-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-olate;iodide

potassium;2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-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-olate;iodide (PubChem CID 159267425) has the molecular formula C75H88BrF7IKN18O3Si2 and a molecular weight of 1724.72 g/mol. Its IUPAC name is potassium;2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-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-olate;iodide.

Molecular Properties

Compound Namepotassium;2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-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-olate;iodide
PubChem CID159267425
Molecular FormulaC75H88BrF7IKN18O3Si2
Molecular Weight1724.72 g/mol
Exact Mass1722.46
IUPAC Namepotassium;2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-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-olate;iodide
SMILESC#C[Si](C)(C)C.CC(C)(C)OC(=O)n1cc(CC#N)c2ncc(F)cc21.CC(C)(C)[O-].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-].[K+]
InChIInChI=1S/C14H14FN3O2.C11H15FN3.C10H12FN3.C10H13FN2Si.C9H6FN3.C7H5FN2.C5H4BrFN2.C5H10Si.C4H9O.HI.K/c1-14(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,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;1-3H3;1H;/q;+1;;;;;;;-1;;+1/p-1
InChIKeyOMQCOFLFDIDVDS-UHFFFAOYSA-M
XLogP9.41
TPSA310.54 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms108
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001724.72
LogP ≤ 59.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

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'}

Analyze potassium;2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-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-olate;iodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-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-olate;iodide?
The IUPAC name of potassium;2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-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-olate;iodide (CID 159267425) is potassium;2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-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-olate;iodide.
What is the SMILES notation for potassium;2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-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-olate;iodide?
The canonical SMILES for potassium;2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-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-olate;iodide is C#C[Si](C)(C)C.CC(C)(C)OC(=O)n1cc(CC#N)c2ncc(F)cc21.CC(C)(C)[O-].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-].[K+].
What is the InChIKey of potassium;2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-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-olate;iodide?
The InChIKey is OMQCOFLFDIDVDS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14FN3O2.C11H15FN3.C10H12FN3.C10H13FN2Si.C9H6FN3.C7H5FN2.C5H4BrFN2.C5H10Si.C4H9O.HI.K/c1-14(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,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;1-3H3;1H;/q;+1;;;;;;;-1;;+1/p-1.
What are the key properties of potassium;2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-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-olate;iodide?
potassium;2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-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-olate;iodide has a molecular weight of 1724.72 g/mol, XLogP of 9.41, 6 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-bromo-5-fluoropyridin-3-amine;tert-butyl 3-(cyanomethyl)-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-olate;iodide is sourced from PubChem (CID 159267425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).