About 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol
6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol (PubChem CID 115833955) has the molecular formula C12H14FNO
and a molecular weight of 207.25 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol.
Molecular Properties
| Compound Name | 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol |
| PubChem CID | 115833955 |
| Molecular Formula | C12H14FNO |
| Molecular Weight | 207.25 g/mol |
| Exact Mass | 207.11 |
| IUPAC Name | 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol |
| SMILES | OC(c1ccncc1F)C1C2CCCC21 |
| InChI | InChI=1S/C12H14FNO/c13-10-6-14-5-4-9(10)12(15)11-7-2-1-3-8(7)11/h4-8,11-12,15H,1-3H2 |
| InChIKey | BVZLXLZXCVNUKX-UHFFFAOYSA-N |
| XLogP | 2.30 |
| TPSA | 33.12 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 207.25 |
| LogP ≤ 5 | 2.30 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol (CID 115833955) is 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol is OC(c1ccncc1F)C1C2CCCC21.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol?
The InChIKey is BVZLXLZXCVNUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-10-6-14-5-4-9(10)12(15)11-7-2-1-3-8(7)11/h4-8,11-12,15H,1-3H2.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol?
6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol has a molecular weight of 207.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 115833955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).