3-bromo-5-(4-chlorophenyl)pyridin-2-amine;5-(4-chlorophenyl)-3-ethynylpyridin-2-amine;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane;hydrofluoride

C57H52BrCl4FN8Si2 — CID 158324742

About 3-bromo-5-(4-chlorophenyl)pyridin-2-amine;5-(4-chlorophenyl)-3-ethynylpyridin-2-amine;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane;hydrofluoride

3-bromo-5-(4-chlorophenyl)pyridin-2-amine;5-(4-chlorophenyl)-3-ethynylpyridin-2-amine;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane;hydrofluoride (PubChem CID 158324742) has the molecular formula C57H52BrCl4FN8Si2 and a molecular weight of 1145.98 g/mol. Its IUPAC name is 3-bromo-5-(4-chlorophenyl)pyridin-2-amine;5-(4-chlorophenyl)-3-ethynylpyridin-2-amine;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane;hydrofluoride.

Molecular Properties

• Compound Name: 3-bromo-5-(4-chlorophenyl)pyridin-2-amine;5-(4-chlorophenyl)-3-ethynylpyridin-2-amine;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane;hydrofluoride
• PubChem CID: 158324742
• Molecular Formula: C57H52BrCl4FN8Si2
• Molecular Weight: 1145.98 g/mol
• Exact Mass: 1142.18
• IUPAC Name: 3-bromo-5-(4-chlorophenyl)pyridin-2-amine;5-(4-chlorophenyl)-3-ethynylpyridin-2-amine;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane;hydrofluoride
• SMILES: C#C[SiH](C)C.C#Cc1cc(-c2ccc(Cl)cc2)cnc1N.C[Si](C)(C)C#Cc1cc(-c2ccc(Cl)cc2)cnc1N.Clc1ccc(-c2cnc3[nH]ccc3c2)cc1.F.Nc1ncc(-c2ccc(Cl)cc2)cc1Br
• InChI: InChI=1S/C16H17ClN2Si.2C13H9ClN2.C11H8BrClN2.C4H8Si.FH/c1-20(2,3)9-8-13-10-14(11-19-16(13)18)12-4-6-15(17)7-5-12;14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11;1-2-9-7-11(8-16-13(9)15)10-3-5-12(14)6-4-10;12-10-5-8(6-15-11(10)14)7-1-3-9(13)4-2-7;1-4-5(2)3;/h4-7,10-11H,1-3H3,(H2,18,19);1-8H,(H,15,16);1,3-8H,(H2,15,16);1-6H,(H2,14,15);1,5H,2-3H3;1H
• InChIKey: GPGRFRGVUYLYRI-UHFFFAOYSA-N
• XLogP: 15.61
• TPSA: 145.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1145.98
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-chlorophenyl)pyridin-2-amine;5-(4-chlorophenyl)-3-ethynylpyridin-2-amine;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane;hydrofluoride?

The IUPAC name of 3-bromo-5-(4-chlorophenyl)pyridin-2-amine;5-(4-chlorophenyl)-3-ethynylpyridin-2-amine;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane;hydrofluoride (CID 158324742) is 3-bromo-5-(4-chlorophenyl)pyridin-2-amine;5-(4-chlorophenyl)-3-ethynylpyridin-2-amine;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane;hydrofluoride.

What is the SMILES notation for 3-bromo-5-(4-chlorophenyl)pyridin-2-amine;5-(4-chlorophenyl)-3-ethynylpyridin-2-amine;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane;hydrofluoride?

The canonical SMILES for 3-bromo-5-(4-chlorophenyl)pyridin-2-amine;5-(4-chlorophenyl)-3-ethynylpyridin-2-amine;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane;hydrofluoride is C#C[SiH](C)C.C#Cc1cc(-c2ccc(Cl)cc2)cnc1N.C[Si](C)(C)C#Cc1cc(-c2ccc(Cl)cc2)cnc1N.Clc1ccc(-c2cnc3[nH]ccc3c2)cc1.F.Nc1ncc(-c2ccc(Cl)cc2)cc1Br.

What is the InChIKey of 3-bromo-5-(4-chlorophenyl)pyridin-2-amine;5-(4-chlorophenyl)-3-ethynylpyridin-2-amine;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane;hydrofluoride?

The InChIKey is GPGRFRGVUYLYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2Si.2C13H9ClN2.C11H8BrClN2.C4H8Si.FH/c1-20(2,3)9-8-13-10-14(11-19-16(13)18)12-4-6-15(17)7-5-12;14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11;1-2-9-7-11(8-16-13(9)15)10-3-5-12(14)6-4-10;12-10-5-8(6-15-11(10)14)7-1-3-9(13)4-2-7;1-4-5(2)3;/h4-7,10-11H,1-3H3,(H2,18,19);1-8H,(H,15,16);1,3-8H,(H2,15,16);1-6H,(H2,14,15);1,5H,2-3H3;1H.

What are the key properties of 3-bromo-5-(4-chlorophenyl)pyridin-2-amine;5-(4-chlorophenyl)-3-ethynylpyridin-2-amine;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane;hydrofluoride?

3-bromo-5-(4-chlorophenyl)pyridin-2-amine;5-(4-chlorophenyl)-3-ethynylpyridin-2-amine;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane;hydrofluoride has a molecular weight of 1145.98 g/mol, XLogP of 15.61, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(4-chlorophenyl)pyridin-2-amine;5-(4-chlorophenyl)-3-ethynylpyridin-2-amine;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane;hydrofluoride is sourced from PubChem (CID 158324742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).