3-chloro-2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyridine

C14H11ClF3NO — CID 2499723

IUPAC3-chloro-2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyridine
SMILESCc1cc(C)cc(Oc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H11ClF3NO/c1-8-3-9(2)5-11(4-8)20-13-12(15)6-10(7-19-13)14(16,17)18/h3-7H,1-2H3
InChIKeyRBZUJNNFPLXXSC-UHFFFAOYSA-N
MW301.70 g/mol
LogP5.16
Rot. Bonds2

About 3-chloro-2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyridine

3-chloro-2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 2499723) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 3-chloro-2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyridine
PubChem CID2499723
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name3-chloro-2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyridine
SMILESCc1cc(C)cc(Oc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H11ClF3NO/c1-8-3-9(2)5-11(4-8)20-13-12(15)6-10(7-19-13)14(16,17)18/h3-7H,1-2H3
InChIKeyRBZUJNNFPLXXSC-UHFFFAOYSA-N
XLogP5.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.70
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyridine (CID 2499723) is 3-chloro-2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyridine is Cc1cc(C)cc(Oc2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 3-chloro-2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is RBZUJNNFPLXXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c1-8-3-9(2)5-11(4-8)20-13-12(15)6-10(7-19-13)14(16,17)18/h3-7H,1-2H3.
What are the key properties of 3-chloro-2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyridine?
3-chloro-2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 301.70 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2499723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).