About 4-bromo-1,6-dimethyl-2H-pyridine
4-bromo-1,6-dimethyl-2H-pyridine (PubChem CID 141279710) has the molecular formula C7H10BrN
and a molecular weight of 188.07 g/mol. Its IUPAC name is 4-bromo-1,6-dimethyl-2H-pyridine.
Molecular Properties
| Compound Name | 4-bromo-1,6-dimethyl-2H-pyridine |
|---|
| PubChem CID | 141279710 |
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| Molecular Formula | C7H10BrN |
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| Molecular Weight | 188.07 g/mol |
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| Exact Mass | 187.00 |
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| IUPAC Name | 4-bromo-1,6-dimethyl-2H-pyridine |
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| SMILES | CC1=CC(Br)=CCN1C |
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| InChI | InChI=1S/C7H10BrN/c1-6-5-7(8)3-4-9(6)2/h3,5H,4H2,1-2H3 |
|---|
| InChIKey | GNRDVUFMIJDBHP-UHFFFAOYSA-N |
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| XLogP | 2.11 |
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| TPSA | 3.24 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 188.07 |
| LogP ≤ 5 | 2.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 4-bromo-1,6-dimethyl-2H-pyridine?
The IUPAC name of 4-bromo-1,6-dimethyl-2H-pyridine (CID 141279710) is 4-bromo-1,6-dimethyl-2H-pyridine.
What is the SMILES notation for 4-bromo-1,6-dimethyl-2H-pyridine?
The canonical SMILES for 4-bromo-1,6-dimethyl-2H-pyridine is CC1=CC(Br)=CCN1C.
What is the InChIKey of 4-bromo-1,6-dimethyl-2H-pyridine?
The InChIKey is GNRDVUFMIJDBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN/c1-6-5-7(8)3-4-9(6)2/h3,5H,4H2,1-2H3.
What are the key properties of 4-bromo-1,6-dimethyl-2H-pyridine?
4-bromo-1,6-dimethyl-2H-pyridine has a molecular weight of 188.07 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,6-dimethyl-2H-pyridine is sourced from PubChem (CID 141279710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).