5-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol

C18H10ClF4NO2 — CID 166630994

IUPAC5-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol
SMILESOc1cc(Oc2cccc(-c3ccc(C(F)(F)F)c(Cl)c3)n2)ccc1F
InChIInChI=1S/C18H10ClF4NO2/c19-13-8-10(4-6-12(13)18(21,22)23)15-2-1-3-17(24-15)26-11-5-7-14(20)16(25)9-11/h1-9,25H
InChIKeyWDOUZCFSAJUBIY-UHFFFAOYSA-N
MW383.73 g/mol
LogP6.06
Rot. Bonds3

About 5-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol

5-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol (PubChem CID 166630994) has the molecular formula C18H10ClF4NO2 and a molecular weight of 383.73 g/mol. Its IUPAC name is 5-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol.

Molecular Properties

Compound Name5-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol
PubChem CID166630994
Molecular FormulaC18H10ClF4NO2
Molecular Weight383.73 g/mol
Exact Mass383.03
IUPAC Name5-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol
SMILESOc1cc(Oc2cccc(-c3ccc(C(F)(F)F)c(Cl)c3)n2)ccc1F
InChIInChI=1S/C18H10ClF4NO2/c19-13-8-10(4-6-12(13)18(21,22)23)15-2-1-3-17(24-15)26-11-5-7-14(20)16(25)9-11/h1-9,25H
InChIKeyWDOUZCFSAJUBIY-UHFFFAOYSA-N
XLogP6.06
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.73
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol?
The IUPAC name of 5-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol (CID 166630994) is 5-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol.
What is the SMILES notation for 5-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol?
The canonical SMILES for 5-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol is Oc1cc(Oc2cccc(-c3ccc(C(F)(F)F)c(Cl)c3)n2)ccc1F.
What is the InChIKey of 5-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol?
The InChIKey is WDOUZCFSAJUBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF4NO2/c19-13-8-10(4-6-12(13)18(21,22)23)15-2-1-3-17(24-15)26-11-5-7-14(20)16(25)9-11/h1-9,25H.
What are the key properties of 5-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol?
5-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol has a molecular weight of 383.73 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol is sourced from PubChem (CID 166630994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).