3-Tert-butyl-2,4-dichloropyridine

C₉H₁₁Cl₂N — CID 152672393

About 3-Tert-butyl-2,4-dichloropyridine

3-Tert-butyl-2,4-dichloropyridine (PubChem CID 152672393) has the molecular formula C₉H₁₁Cl₂N and a molecular weight of 204.10 g/mol. Its IUPAC name is 3-tert-butyl-2,4-dichloropyridine.

Molecular Properties

• Compound Name: 3-Tert-butyl-2,4-dichloropyridine
• PubChem CID: 152672393
• Molecular Formula: C₉H₁₁Cl₂N
• Molecular Weight: 204.10 g/mol
• Exact Mass: 203.03
• IUPAC Name: 3-tert-butyl-2,4-dichloropyridine
• SMILES: CC(C)(C)c1c(Cl)ccnc1Cl
• InChI: InChI=1S/C9H11Cl2N/c1-9(2,3)7-6(10)4-5-12-8(7)11/h4-5H,1-3H3
• InChIKey: ZLUVALGIMJIUIT-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	204.10
LogP ≤ 5	3.69
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 3-Tert-butyl-2,4-dichloropyridine?

The IUPAC name of 3-Tert-butyl-2,4-dichloropyridine (CID 152672393) is 3-tert-butyl-2,4-dichloropyridine.

What is the SMILES notation for 3-Tert-butyl-2,4-dichloropyridine?

The canonical SMILES for 3-Tert-butyl-2,4-dichloropyridine is CC(C)(C)c1c(Cl)ccnc1Cl.

What is the InChIKey of 3-Tert-butyl-2,4-dichloropyridine?

The InChIKey is ZLUVALGIMJIUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N/c1-9(2,3)7-6(10)4-5-12-8(7)11/h4-5H,1-3H3.

What are the key properties of 3-Tert-butyl-2,4-dichloropyridine?

3-Tert-butyl-2,4-dichloropyridine has a molecular weight of 204.10 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-Tert-butyl-2,4-dichloropyridine is sourced from PubChem (CID 152672393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152672393 — identifiers, structure, computed properties (public domain)

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