About 5-bromo-3-(2-methoxyethoxy)pyridin-2-amine;3-(2-methoxyethoxy)-2-nitropyridine;3-(2-methoxyethoxy)pyridin-2-amine
5-bromo-3-(2-methoxyethoxy)pyridin-2-amine;3-(2-methoxyethoxy)-2-nitropyridine;3-(2-methoxyethoxy)pyridin-2-amine (PubChem CID 161139910) has the molecular formula C24H33BrN6O8
and a molecular weight of 613.47 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyethoxy)pyridin-2-amine;3-(2-methoxyethoxy)-2-nitropyridine;3-(2-methoxyethoxy)pyridin-2-amine.
Molecular Properties
| Compound Name | 5-bromo-3-(2-methoxyethoxy)pyridin-2-amine;3-(2-methoxyethoxy)-2-nitropyridine;3-(2-methoxyethoxy)pyridin-2-amine |
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| PubChem CID | 161139910 |
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| Molecular Formula | C24H33BrN6O8 |
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| Molecular Weight | 613.47 g/mol |
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| Exact Mass | 612.15 |
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| IUPAC Name | 5-bromo-3-(2-methoxyethoxy)pyridin-2-amine;3-(2-methoxyethoxy)-2-nitropyridine;3-(2-methoxyethoxy)pyridin-2-amine |
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| SMILES | COCCOc1cc(Br)cnc1N.COCCOc1cccnc1N.COCCOc1cccnc1[N+](=O)[O-] |
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| InChI | InChI=1S/C8H11BrN2O2.C8H10N2O4.C8H12N2O2/c1-12-2-3-13-7-4-6(9)5-11-8(7)10;1-13-5-6-14-7-3-2-4-9-8(7)10(11)12;1-11-5-6-12-7-3-2-4-10-8(7)9/h4-5H,2-3H2,1H3,(H2,10,11);2-4H,5-6H2,1H3;2-4H,5-6H2,1H3,(H2,9,10) |
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| InChIKey | UNHLAGWWVPUHFL-UHFFFAOYSA-N |
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| XLogP | 3.16 |
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| TPSA | 189.23 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 13 |
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| Rotatable Bonds | 13 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 613.47 |
| LogP ≤ 5 | 3.16 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 13 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-bromo-3-(2-methoxyethoxy)pyridin-2-amine;3-(2-methoxyethoxy)-2-nitropyridine;3-(2-methoxyethoxy)pyridin-2-amine?
The IUPAC name of 5-bromo-3-(2-methoxyethoxy)pyridin-2-amine;3-(2-methoxyethoxy)-2-nitropyridine;3-(2-methoxyethoxy)pyridin-2-amine (CID 161139910) is 5-bromo-3-(2-methoxyethoxy)pyridin-2-amine;3-(2-methoxyethoxy)-2-nitropyridine;3-(2-methoxyethoxy)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(2-methoxyethoxy)pyridin-2-amine;3-(2-methoxyethoxy)-2-nitropyridine;3-(2-methoxyethoxy)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-(2-methoxyethoxy)pyridin-2-amine;3-(2-methoxyethoxy)-2-nitropyridine;3-(2-methoxyethoxy)pyridin-2-amine is COCCOc1cc(Br)cnc1N.COCCOc1cccnc1N.COCCOc1cccnc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-3-(2-methoxyethoxy)pyridin-2-amine;3-(2-methoxyethoxy)-2-nitropyridine;3-(2-methoxyethoxy)pyridin-2-amine?
The InChIKey is UNHLAGWWVPUHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2.C8H10N2O4.C8H12N2O2/c1-12-2-3-13-7-4-6(9)5-11-8(7)10;1-13-5-6-14-7-3-2-4-9-8(7)10(11)12;1-11-5-6-12-7-3-2-4-10-8(7)9/h4-5H,2-3H2,1H3,(H2,10,11);2-4H,5-6H2,1H3;2-4H,5-6H2,1H3,(H2,9,10).
What are the key properties of 5-bromo-3-(2-methoxyethoxy)pyridin-2-amine;3-(2-methoxyethoxy)-2-nitropyridine;3-(2-methoxyethoxy)pyridin-2-amine?
5-bromo-3-(2-methoxyethoxy)pyridin-2-amine;3-(2-methoxyethoxy)-2-nitropyridine;3-(2-methoxyethoxy)pyridin-2-amine has a molecular weight of 613.47 g/mol, XLogP of 3.16, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methoxyethoxy)pyridin-2-amine;3-(2-methoxyethoxy)-2-nitropyridine;3-(2-methoxyethoxy)pyridin-2-amine is sourced from PubChem (CID 161139910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).