1,4-Di-t-butylpyridine

C₁₃H₂₃N — CID 66942442

About 1,4-Di-t-butylpyridine

1,4-Di-t-butylpyridine (PubChem CID 66942442) has the molecular formula C₁₃H₂₃N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1,4-ditert-butyl-2H-pyridine.

Molecular Properties

• Compound Name: 1,4-Di-t-butylpyridine
• PubChem CID: 66942442
• Molecular Formula: C₁₃H₂₃N
• Molecular Weight: 193.33 g/mol
• Exact Mass: 193.18
• IUPAC Name: 1,4-ditert-butyl-2H-pyridine
• SMILES: CC(C)(C)C1=CCN(C(C)(C)C)C=C1
• InChI: InChI=1S/C13H23N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h7-9H,10H2,1-6H3
• InChIKey: KVHFHMXNWIRFGS-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	193.33
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1,4-Di-t-butylpyridine?

The IUPAC name of 1,4-Di-t-butylpyridine (CID 66942442) is 1,4-ditert-butyl-2H-pyridine.

What is the SMILES notation for 1,4-Di-t-butylpyridine?

The canonical SMILES for 1,4-Di-t-butylpyridine is CC(C)(C)C1=CCN(C(C)(C)C)C=C1.

What is the InChIKey of 1,4-Di-t-butylpyridine?

The InChIKey is KVHFHMXNWIRFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h7-9H,10H2,1-6H3.

What are the key properties of 1,4-Di-t-butylpyridine?

1,4-Di-t-butylpyridine has a molecular weight of 193.33 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-Di-t-butylpyridine is sourced from PubChem (CID 66942442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66942442 — identifiers, structure, computed properties (public domain)

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