About 3-bromo-5-chloro-1-methylpyridin-2-one
3-bromo-5-chloro-1-methylpyridin-2-one (PubChem CID 22382035) has the molecular formula C6H5BrClNO
and a molecular weight of 222.47 g/mol. Its IUPAC name is 3-bromo-5-chloro-1-methylpyridin-2-one.
Molecular Properties
| Compound Name | 3-bromo-5-chloro-1-methylpyridin-2-one |
|---|
| PubChem CID | 22382035 |
|---|
| Molecular Formula | C6H5BrClNO |
|---|
| Molecular Weight | 222.47 g/mol |
|---|
| Exact Mass | 220.92 |
|---|
| IUPAC Name | 3-bromo-5-chloro-1-methylpyridin-2-one |
|---|
| SMILES | Cn1cc(Cl)cc(Br)c1=O |
|---|
| InChI | InChI=1S/C6H5BrClNO/c1-9-3-4(8)2-5(7)6(9)10/h2-3H,1H3 |
|---|
| InChIKey | KYQGLGASZBTTFW-UHFFFAOYSA-N |
|---|
| XLogP | 1.80 |
|---|
| TPSA | 22.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 10 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 222.47 |
| LogP ≤ 5 | 1.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 3-bromo-5-chloro-1-methylpyridin-2-one?
The IUPAC name of 3-bromo-5-chloro-1-methylpyridin-2-one (CID 22382035) is 3-bromo-5-chloro-1-methylpyridin-2-one.
What is the SMILES notation for 3-bromo-5-chloro-1-methylpyridin-2-one?
The canonical SMILES for 3-bromo-5-chloro-1-methylpyridin-2-one is Cn1cc(Cl)cc(Br)c1=O.
What is the InChIKey of 3-bromo-5-chloro-1-methylpyridin-2-one?
The InChIKey is KYQGLGASZBTTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClNO/c1-9-3-4(8)2-5(7)6(9)10/h2-3H,1H3.
What are the key properties of 3-bromo-5-chloro-1-methylpyridin-2-one?
3-bromo-5-chloro-1-methylpyridin-2-one has a molecular weight of 222.47 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-1-methylpyridin-2-one is sourced from PubChem (CID 22382035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).