3-chloro-6-(4-ethylphenoxy)-2-(trifluoromethyl)pyridine

C14H11ClF3NO — CID 67775260

IUPAC3-chloro-6-(4-ethylphenoxy)-2-(trifluoromethyl)pyridine
SMILESCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H11ClF3NO/c1-2-9-3-5-10(6-4-9)20-12-8-7-11(15)13(19-12)14(16,17)18/h3-8H,2H2,1H3
InChIKeyITNCDOVVMGNNMV-UHFFFAOYSA-N
MW301.70 g/mol
LogP5.11
Rot. Bonds3

About 3-chloro-6-(4-ethylphenoxy)-2-(trifluoromethyl)pyridine

3-chloro-6-(4-ethylphenoxy)-2-(trifluoromethyl)pyridine (PubChem CID 67775260) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 3-chloro-6-(4-ethylphenoxy)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-6-(4-ethylphenoxy)-2-(trifluoromethyl)pyridine
PubChem CID67775260
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name3-chloro-6-(4-ethylphenoxy)-2-(trifluoromethyl)pyridine
SMILESCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H11ClF3NO/c1-2-9-3-5-10(6-4-9)20-12-8-7-11(15)13(19-12)14(16,17)18/h3-8H,2H2,1H3
InChIKeyITNCDOVVMGNNMV-UHFFFAOYSA-N
XLogP5.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.70
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-ethylphenoxy)-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-6-(4-ethylphenoxy)-2-(trifluoromethyl)pyridine (CID 67775260) is 3-chloro-6-(4-ethylphenoxy)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-6-(4-ethylphenoxy)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-6-(4-ethylphenoxy)-2-(trifluoromethyl)pyridine is CCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)n2)cc1.
What is the InChIKey of 3-chloro-6-(4-ethylphenoxy)-2-(trifluoromethyl)pyridine?
The InChIKey is ITNCDOVVMGNNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c1-2-9-3-5-10(6-4-9)20-12-8-7-11(15)13(19-12)14(16,17)18/h3-8H,2H2,1H3.
What are the key properties of 3-chloro-6-(4-ethylphenoxy)-2-(trifluoromethyl)pyridine?
3-chloro-6-(4-ethylphenoxy)-2-(trifluoromethyl)pyridine has a molecular weight of 301.70 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-ethylphenoxy)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 67775260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).