4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine

C₁₁H₁₅ClFNO — CID 105383887

About 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine

4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine (PubChem CID 105383887) has the molecular formula C₁₁H₁₅ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine.

Molecular Properties

• Compound Name: 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine
• PubChem CID: 105383887
• Molecular Formula: C₁₁H₁₅ClFNO
• Molecular Weight: 231.70 g/mol
• Exact Mass: 231.08
• IUPAC Name: 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine
• SMILES: CC(C)C(C)Oc1nccc(CCl)c1F
• InChI: InChI=1S/C11H15ClFNO/c1-7(2)8(3)15-11-10(13)9(6-12)4-5-14-11/h4-5,7-8H,6H2,1-3H3
• InChIKey: SKZSYXPSHFNNSY-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	231.70
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine?

The IUPAC name of 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine (CID 105383887) is 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine.

What is the SMILES notation for 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine?

The canonical SMILES for 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine is CC(C)C(C)Oc1nccc(CCl)c1F.

What is the InChIKey of 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine?

The InChIKey is SKZSYXPSHFNNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-7(2)8(3)15-11-10(13)9(6-12)4-5-14-11/h4-5,7-8H,6H2,1-3H3.

What are the key properties of 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine?

4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine has a molecular weight of 231.70 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine is sourced from PubChem (CID 105383887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105383887 — identifiers, structure, computed properties (public domain)

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