About [1-(5-bromo-6-fluoro-2-pyridinyl)piperidin-4-yl]methanol;2,6-difluoropyridine;[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]methanol
[1-(5-bromo-6-fluoro-2-pyridinyl)piperidin-4-yl]methanol;2,6-difluoropyridine;[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]methanol (PubChem CID 159898647) has the molecular formula C27H32BrF4N5O2
and a molecular weight of 614.48 g/mol. Its IUPAC name is [1-(5-bromo-6-fluoro-2-pyridinyl)piperidin-4-yl]methanol;2,6-difluoropyridine;[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]methanol.
Molecular Properties
| Compound Name | [1-(5-bromo-6-fluoro-2-pyridinyl)piperidin-4-yl]methanol;2,6-difluoropyridine;[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]methanol |
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| PubChem CID | 159898647 |
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| Molecular Formula | C27H32BrF4N5O2 |
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| Molecular Weight | 614.48 g/mol |
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| Exact Mass | 613.17 |
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| IUPAC Name | [1-(5-bromo-6-fluoro-2-pyridinyl)piperidin-4-yl]methanol;2,6-difluoropyridine;[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]methanol |
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| SMILES | Fc1cccc(F)n1.OCC1CCN(c2ccc(Br)c(F)n2)CC1.OCC1CCN(c2cccc(F)n2)CC1 |
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| InChI | InChI=1S/C11H14BrFN2O.C11H15FN2O.C5H3F2N/c12-9-1-2-10(14-11(9)13)15-5-3-8(7-16)4-6-15;12-10-2-1-3-11(13-10)14-6-4-9(8-15)5-7-14;6-4-2-1-3-5(7)8-4/h1-2,8,16H,3-7H2;1-3,9,15H,4-8H2;1-3H |
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| InChIKey | NVRBKZPWRVJGKL-UHFFFAOYSA-N |
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| XLogP | 4.98 |
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| TPSA | 85.61 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 614.48 |
| LogP ≤ 5 | 4.98 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [1-(5-bromo-6-fluoro-2-pyridinyl)piperidin-4-yl]methanol;2,6-difluoropyridine;[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(5-bromo-6-fluoro-2-pyridinyl)piperidin-4-yl]methanol;2,6-difluoropyridine;[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]methanol (CID 159898647) is [1-(5-bromo-6-fluoro-2-pyridinyl)piperidin-4-yl]methanol;2,6-difluoropyridine;[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(5-bromo-6-fluoro-2-pyridinyl)piperidin-4-yl]methanol;2,6-difluoropyridine;[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(5-bromo-6-fluoro-2-pyridinyl)piperidin-4-yl]methanol;2,6-difluoropyridine;[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]methanol is Fc1cccc(F)n1.OCC1CCN(c2ccc(Br)c(F)n2)CC1.OCC1CCN(c2cccc(F)n2)CC1.
What is the InChIKey of [1-(5-bromo-6-fluoro-2-pyridinyl)piperidin-4-yl]methanol;2,6-difluoropyridine;[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]methanol?
The InChIKey is NVRBKZPWRVJGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O.C11H15FN2O.C5H3F2N/c12-9-1-2-10(14-11(9)13)15-5-3-8(7-16)4-6-15;12-10-2-1-3-11(13-10)14-6-4-9(8-15)5-7-14;6-4-2-1-3-5(7)8-4/h1-2,8,16H,3-7H2;1-3,9,15H,4-8H2;1-3H.
What are the key properties of [1-(5-bromo-6-fluoro-2-pyridinyl)piperidin-4-yl]methanol;2,6-difluoropyridine;[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]methanol?
[1-(5-bromo-6-fluoro-2-pyridinyl)piperidin-4-yl]methanol;2,6-difluoropyridine;[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]methanol has a molecular weight of 614.48 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-6-fluoro-2-pyridinyl)piperidin-4-yl]methanol;2,6-difluoropyridine;[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]methanol is sourced from PubChem (CID 159898647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).