N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide

C₃₈H₃₅Br₅I₂N₁₀O₂Si — CID 158748492

About N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide

N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide (PubChem CID 158748492) has the molecular formula C₃₈H₃₅Br₅I₂N₁₀O₂Si and a molecular weight of 1345.18 g/mol. Its IUPAC name is N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide
• PubChem CID: 158748492
• Molecular Formula: C₃₈H₃₅Br₅I₂N₁₀O₂Si
• Molecular Weight: 1345.18 g/mol
• Exact Mass: 1339.67
• IUPAC Name: N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide
• SMILES: Brc1cnc2[nH]cc(I)c2c1.Brc1cnc2[nH]ccc2c1.CC(=O)Nc1ncc(Br)cc1C#C[Si](C)(C)C.CC(=O)Nc1ncc(Br)cc1I.Nc1ccc(Br)cn1
• InChI: InChI=1S/C12H15BrN2OSi.C7H6BrIN2O.C7H4BrIN2.C7H5BrN2.C5H5BrN2/c1-9(16)15-12-10(5-6-17(2,3)4)7-11(13)8-14-12;1-4(12)11-7-6(9)2-5(8)3-10-7;8-4-1-5-6(9)3-11-7(5)10-2-4;8-6-3-5-1-2-9-7(5)10-4-6;6-4-1-2-5(7)8-3-4/h7-8H,1-4H3,(H,14,15,16);2-3H,1H3,(H,10,11,12);1-3H,(H,10,11);1-4H,(H,9,10);1-3H,(H2,7,8)
• InChIKey: INECUQCYYVVOGS-UHFFFAOYSA-N
• XLogP: 12.12
• TPSA: 180.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1345.18
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide?

The IUPAC name of N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide (CID 158748492) is N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide.

What is the SMILES notation for N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide?

The canonical SMILES for N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide is Brc1cnc2[nH]cc(I)c2c1.Brc1cnc2[nH]ccc2c1.CC(=O)Nc1ncc(Br)cc1C#C[Si](C)(C)C.CC(=O)Nc1ncc(Br)cc1I.Nc1ccc(Br)cn1.

What is the InChIKey of N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide?

The InChIKey is INECUQCYYVVOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OSi.C7H6BrIN2O.C7H4BrIN2.C7H5BrN2.C5H5BrN2/c1-9(16)15-12-10(5-6-17(2,3)4)7-11(13)8-14-12;1-4(12)11-7-6(9)2-5(8)3-10-7;8-4-1-5-6(9)3-11-7(5)10-2-4;8-6-3-5-1-2-9-7(5)10-4-6;6-4-1-2-5(7)8-3-4/h7-8H,1-4H3,(H,14,15,16);2-3H,1H3,(H,10,11,12);1-3H,(H,10,11);1-4H,(H,9,10);1-3H,(H2,7,8).

What are the key properties of N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide?

N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide has a molecular weight of 1345.18 g/mol, XLogP of 12.12, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 158748492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158748492 — identifiers, structure, computed properties (public domain)

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