5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane
C34H37Br5N8Si2 — CID 158814167
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane
SMILESBrc1cnc2[nH]ccc2c1.C#C[Si](C)(C)C.C#Cc1cc(Br)cnc1N.C[Si](C)(C)C#Cc1cc(Br)cnc1N.Nc1ncc(Br)cc1Br
InChIInChI=1S/C10H13BrN2Si.2C7H5BrN2.C5H4Br2N2.C5H10Si/c1-14(2,3)5-4-8-6-9(11)7-13-10(8)12;8-6-3-5-1-2-9-7(5)10-4-6;1-2-5-3-6(8)4-10-7(5)9;6-3-1-4(7)5(8)9-2-3;1-5-6(2,3)4/h6-7H,1-3H3,(H2,12,13);1-4H,(H,9,10);1,3-4H,(H2,9,10);1-2H,(H2,8,9);1H,2-4H3
InChIKeyIVBFAWGUFSWQOC-UHFFFAOYSA-N
MW1013.42 g/mol
LogP10.07
Rot. Bonds
About 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane
5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane (PubChem CID 158814167) has the molecular formula C34H37Br5N8Si2 and a molecular weight of 1013.42 g/mol. Its IUPAC name is 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane.
Molecular Properties
| Compound Name | 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane |
|---|---|
| PubChem CID | 158814167 |
| Molecular Formula | C34H37Br5N8Si2 |
| Molecular Weight | 1013.42 g/mol |
| Exact Mass | 1007.86 |
| IUPAC Name | 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane |
| SMILES | Brc1cnc2[nH]ccc2c1.C#C[Si](C)(C)C.C#Cc1cc(Br)cnc1N.C[Si](C)(C)C#Cc1cc(Br)cnc1N.Nc1ncc(Br)cc1Br |
| InChI | InChI=1S/C10H13BrN2Si.2C7H5BrN2.C5H4Br2N2.C5H10Si/c1-14(2,3)5-4-8-6-9(11)7-13-10(8)12;8-6-3-5-1-2-9-7(5)10-4-6;1-2-5-3-6(8)4-10-7(5)9;6-3-1-4(7)5(8)9-2-3;1-5-6(2,3)4/h6-7H,1-3H3,(H2,12,13);1-4H,(H,9,10);1,3-4H,(H2,9,10);1-2H,(H2,8,9);1H,2-4H3 |
| InChIKey | IVBFAWGUFSWQOC-UHFFFAOYSA-N |
| XLogP | 10.07 |
| TPSA | 145.41 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | |
| Heavy Atoms | 49 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1013.42 |
| LogP ≤ 5 | 10.07 |
| 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 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane?
The IUPAC name of 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane (CID 158814167) is 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane.
What is the SMILES notation for 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane?
The canonical SMILES for 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane is Brc1cnc2[nH]ccc2c1.C#C[Si](C)(C)C.C#Cc1cc(Br)cnc1N.C[Si](C)(C)C#Cc1cc(Br)cnc1N.Nc1ncc(Br)cc1Br.
What is the InChIKey of 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane?
The InChIKey is IVBFAWGUFSWQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2Si.2C7H5BrN2.C5H4Br2N2.C5H10Si/c1-14(2,3)5-4-8-6-9(11)7-13-10(8)12;8-6-3-5-1-2-9-7(5)10-4-6;1-2-5-3-6(8)4-10-7(5)9;6-3-1-4(7)5(8)9-2-3;1-5-6(2,3)4/h6-7H,1-3H3,(H2,12,13);1-4H,(H,9,10);1,3-4H,(H2,9,10);1-2H,(H2,8,9);1H,2-4H3.
What are the key properties of 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane?
5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane has a molecular weight of 1013.42 g/mol, XLogP of 10.07, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane is sourced from PubChem (CID 158814167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158814167 — identifiers, structure, computed properties (public domain)
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