3-ethyl-2,5,6-trifluoro-4-[(2-methylpropan-2-yl)oxy]pyridine

C11H14F3NO — CID 10704778

IUPAC3-ethyl-2,5,6-trifluoro-4-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCCc1c(F)nc(F)c(F)c1OC(C)(C)C
InChIInChI=1S/C11H14F3NO/c1-5-6-8(16-11(2,3)4)7(12)10(14)15-9(6)13/h5H2,1-4H3
InChIKeyPKPGTHJGYXFUAF-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.24
Rot. Bonds2

About 3-ethyl-2,5,6-trifluoro-4-[(2-methylpropan-2-yl)oxy]pyridine

3-ethyl-2,5,6-trifluoro-4-[(2-methylpropan-2-yl)oxy]pyridine (PubChem CID 10704778) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-ethyl-2,5,6-trifluoro-4-[(2-methylpropan-2-yl)oxy]pyridine.

Molecular Properties

Compound Name3-ethyl-2,5,6-trifluoro-4-[(2-methylpropan-2-yl)oxy]pyridine
PubChem CID10704778
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3-ethyl-2,5,6-trifluoro-4-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCCc1c(F)nc(F)c(F)c1OC(C)(C)C
InChIInChI=1S/C11H14F3NO/c1-5-6-8(16-11(2,3)4)7(12)10(14)15-9(6)13/h5H2,1-4H3
InChIKeyPKPGTHJGYXFUAF-UHFFFAOYSA-N
XLogP3.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5,6-trifluoro-4-[(2-methylpropan-2-yl)oxy]pyridine?
The IUPAC name of 3-ethyl-2,5,6-trifluoro-4-[(2-methylpropan-2-yl)oxy]pyridine (CID 10704778) is 3-ethyl-2,5,6-trifluoro-4-[(2-methylpropan-2-yl)oxy]pyridine.
What is the SMILES notation for 3-ethyl-2,5,6-trifluoro-4-[(2-methylpropan-2-yl)oxy]pyridine?
The canonical SMILES for 3-ethyl-2,5,6-trifluoro-4-[(2-methylpropan-2-yl)oxy]pyridine is CCc1c(F)nc(F)c(F)c1OC(C)(C)C.
What is the InChIKey of 3-ethyl-2,5,6-trifluoro-4-[(2-methylpropan-2-yl)oxy]pyridine?
The InChIKey is PKPGTHJGYXFUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-5-6-8(16-11(2,3)4)7(12)10(14)15-9(6)13/h5H2,1-4H3.
What are the key properties of 3-ethyl-2,5,6-trifluoro-4-[(2-methylpropan-2-yl)oxy]pyridine?
3-ethyl-2,5,6-trifluoro-4-[(2-methylpropan-2-yl)oxy]pyridine has a molecular weight of 233.23 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5,6-trifluoro-4-[(2-methylpropan-2-yl)oxy]pyridine is sourced from PubChem (CID 10704778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).