About 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol (PubChem CID 103582945) has the molecular formula C11H7BrClNO2
and a molecular weight of 300.54 g/mol. Its IUPAC name is 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol.
Molecular Properties
| Compound Name | 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol |
| PubChem CID | 103582945 |
| Molecular Formula | C11H7BrClNO2 |
| Molecular Weight | 300.54 g/mol |
| Exact Mass | 298.93 |
| IUPAC Name | 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol |
| SMILES | Oc1ccccc1Oc1ncc(Br)cc1Cl |
| InChI | InChI=1S/C11H7BrClNO2/c12-7-5-8(13)11(14-6-7)16-10-4-2-1-3-9(10)15/h1-6,15H |
| InChIKey | OYGJRCKEQCCBEK-UHFFFAOYSA-N |
| XLogP | 4.00 |
| TPSA | 42.35 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 300.54 |
| LogP ≤ 5 | 4.00 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol?
The IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol (CID 103582945) is 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol.
What is the SMILES notation for 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol?
The canonical SMILES for 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol is Oc1ccccc1Oc1ncc(Br)cc1Cl.
What is the InChIKey of 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol?
The InChIKey is OYGJRCKEQCCBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO2/c12-7-5-8(13)11(14-6-7)16-10-4-2-1-3-9(10)15/h1-6,15H.
What are the key properties of 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol?
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol has a molecular weight of 300.54 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol is sourced from PubChem (CID 103582945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).