4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine

C₁₅H₂₄FN — CID 146618056

About 4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine

4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine (PubChem CID 146618056) has the molecular formula C₁₅H₂₄FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine.

Molecular Properties

• Compound Name: 4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine
• PubChem CID: 146618056
• Molecular Formula: C₁₅H₂₄FN
• Molecular Weight: 237.36 g/mol
• Exact Mass: 237.19
• IUPAC Name: 4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine
• SMILES: CC(C)c1cnc(F)c(C(C)C)c1C(C)(C)C
• InChI: InChI=1S/C15H24FN/c1-9(2)11-8-17-14(16)12(10(3)4)13(11)15(5,6)7/h8-10H,1-7H3
• InChIKey: AKYSXODXGXMMHI-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	237.36
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine?

The IUPAC name of 4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine (CID 146618056) is 4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine.

What is the SMILES notation for 4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine?

The canonical SMILES for 4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine is CC(C)c1cnc(F)c(C(C)C)c1C(C)(C)C.

What is the InChIKey of 4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine?

The InChIKey is AKYSXODXGXMMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-9(2)11-8-17-14(16)12(10(3)4)13(11)15(5,6)7/h8-10H,1-7H3.

What are the key properties of 4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine?

4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine has a molecular weight of 237.36 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-fluoro-3,5-di(propan-2-yl)pyridine is sourced from PubChem (CID 146618056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146618056 — identifiers, structure, computed properties (public domain)

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