3-chloro-2-(4-ethylphenoxy)-5-(trifluoromethyl)pyridine

C14H11ClF3NO — CID 22968911

IUPAC3-chloro-2-(4-ethylphenoxy)-5-(trifluoromethyl)pyridine
SMILESCCc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H11ClF3NO/c1-2-9-3-5-11(6-4-9)20-13-12(15)7-10(8-19-13)14(16,17)18/h3-8H,2H2,1H3
InChIKeyNMAFOLQMFACNMG-UHFFFAOYSA-N
MW301.70 g/mol
LogP5.11
Rot. Bonds3

About 3-chloro-2-(4-ethylphenoxy)-5-(trifluoromethyl)pyridine

3-chloro-2-(4-ethylphenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 22968911) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 3-chloro-2-(4-ethylphenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(4-ethylphenoxy)-5-(trifluoromethyl)pyridine
PubChem CID22968911
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name3-chloro-2-(4-ethylphenoxy)-5-(trifluoromethyl)pyridine
SMILESCCc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H11ClF3NO/c1-2-9-3-5-11(6-4-9)20-13-12(15)7-10(8-19-13)14(16,17)18/h3-8H,2H2,1H3
InChIKeyNMAFOLQMFACNMG-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-2-(4-ethylphenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(4-ethylphenoxy)-5-(trifluoromethyl)pyridine (CID 22968911) is 3-chloro-2-(4-ethylphenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(4-ethylphenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(4-ethylphenoxy)-5-(trifluoromethyl)pyridine is CCc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 3-chloro-2-(4-ethylphenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is NMAFOLQMFACNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c1-2-9-3-5-11(6-4-9)20-13-12(15)7-10(8-19-13)14(16,17)18/h3-8H,2H2,1H3.
What are the key properties of 3-chloro-2-(4-ethylphenoxy)-5-(trifluoromethyl)pyridine?
3-chloro-2-(4-ethylphenoxy)-5-(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-2-(4-ethylphenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 22968911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).