About [1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol
[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 104862404) has the molecular formula C11H15FN2O
and a molecular weight of 210.25 g/mol. Its IUPAC name is [1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol.
Molecular Properties
| Compound Name | [1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol |
| PubChem CID | 104862404 |
| Molecular Formula | C11H15FN2O |
| Molecular Weight | 210.25 g/mol |
| Exact Mass | 210.12 |
| IUPAC Name | [1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol |
| SMILES | OCC1CCN(Cc2cncc(F)c2)C1 |
| InChI | InChI=1S/C11H15FN2O/c12-11-3-10(4-13-5-11)7-14-2-1-9(6-14)8-15/h3-5,9,15H,1-2,6-8H2 |
| InChIKey | FYIZSQGBMXOMSD-UHFFFAOYSA-N |
| XLogP | 1.03 |
| TPSA | 36.36 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 210.25 |
| LogP ≤ 5 | 1.03 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of [1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol (CID 104862404) is [1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol is OCC1CCN(Cc2cncc(F)c2)C1.
What is the InChIKey of [1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is FYIZSQGBMXOMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-11-3-10(4-13-5-11)7-14-2-1-9(6-14)8-15/h3-5,9,15H,1-2,6-8H2.
What are the key properties of [1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
[1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 210.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-fluoro-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 104862404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).