About 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline
7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline (PubChem CID 107314450) has the molecular formula C14H8BrClN2O
and a molecular weight of 335.59 g/mol. Its IUPAC name is 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline.
Molecular Properties
| Compound Name | 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline |
| PubChem CID | 107314450 |
| Molecular Formula | C14H8BrClN2O |
| Molecular Weight | 335.59 g/mol |
| Exact Mass | 333.95 |
| IUPAC Name | 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline |
| SMILES | Clc1cnc(Oc2ccc3cccnc3c2)c(Br)c1 |
| InChI | InChI=1S/C14H8BrClN2O/c15-12-6-10(16)8-18-14(12)19-11-4-3-9-2-1-5-17-13(9)7-11/h1-8H |
| InChIKey | SKDNCCNUJBQNFM-UHFFFAOYSA-N |
| XLogP | 4.84 |
| TPSA | 35.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 335.59 |
| LogP ≤ 5 | 4.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline?
The IUPAC name of 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline (CID 107314450) is 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline.
What is the SMILES notation for 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline?
The canonical SMILES for 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline is Clc1cnc(Oc2ccc3cccnc3c2)c(Br)c1.
What is the InChIKey of 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline?
The InChIKey is SKDNCCNUJBQNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O/c15-12-6-10(16)8-18-14(12)19-11-4-3-9-2-1-5-17-13(9)7-11/h1-8H.
What are the key properties of 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline?
7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline has a molecular weight of 335.59 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline is sourced from PubChem (CID 107314450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).