About 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine (PubChem CID 165076905) has the molecular formula C40H54F6N4
and a molecular weight of 704.89 g/mol. Its IUPAC name is 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine.
Molecular Properties
| Compound Name | 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine |
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| PubChem CID | 165076905 |
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| Molecular Formula | C40H54F6N4 |
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| Molecular Weight | 704.89 g/mol |
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| Exact Mass | 704.43 |
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| IUPAC Name | 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine |
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| SMILES | CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cccc(C(F)(F)F)n1.Cc1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)c1 |
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| InChI | InChI=1S/2C10H12F3N.2C10H15N/c1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-8-5-6-11-9(7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4/h2*4-6H,1-3H3;2*5-7H,1-4H3 |
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| InChIKey | ULOHIUNSECJXOC-UHFFFAOYSA-N |
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| XLogP | 12.17 |
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| TPSA | 51.56 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
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| Heavy Atoms | 50 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 704.89 |
| LogP ≤ 5 | 12.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine (CID 165076905) is 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine is CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cccc(C(F)(F)F)n1.Cc1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The InChIKey is ULOHIUNSECJXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12F3N.2C10H15N/c1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-8-5-6-11-9(7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4/h2*4-6H,1-3H3;2*5-7H,1-4H3.
What are the key properties of 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine has a molecular weight of 704.89 g/mol, XLogP of 12.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 165076905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).