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

C18H10ClF4NO2 — CID 166636291

IUPAC5-[[6-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol
SMILESOc1cc(Oc2cccc(-c3ccc(Cl)c(C(F)(F)F)c3)n2)ccc1F
InChIInChI=1S/C18H10ClF4NO2/c19-13-6-4-10(8-12(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
InChIKeyMOAFAFSRTSYLBV-UHFFFAOYSA-N
MW383.73 g/mol
LogP6.06
Rot. Bonds3

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

5-[[6-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol (PubChem CID 166636291) has the molecular formula C18H10ClF4NO2 and a molecular weight of 383.73 g/mol. Its IUPAC name is 5-[[6-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol.

Molecular Properties

Compound Name5-[[6-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol
PubChem CID166636291
Molecular FormulaC18H10ClF4NO2
Molecular Weight383.73 g/mol
Exact Mass383.03
IUPAC Name5-[[6-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol
SMILESOc1cc(Oc2cccc(-c3ccc(Cl)c(C(F)(F)F)c3)n2)ccc1F
InChIInChI=1S/C18H10ClF4NO2/c19-13-6-4-10(8-12(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
InChIKeyMOAFAFSRTSYLBV-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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Related Compounds

2-Fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol
CID 134158356
3-[(2-Methyl-6-Phenylpyridin-4-Yl)oxy]phenol
CID 71462587
6-(4-Chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile
CID 2765245
2-Fluoro-5-[[6-(2-methoxyphenyl)-2-pyridinyl]oxy]phenol
CID 166625220
2-Fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol
CID 166628596
2-Fluoro-5-[[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol
CID 166629062
5-[[6-[3-Chloro-4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol
CID 166630994
5-[[6-(3-Chloro-4-fluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol
CID 166631348
3-[6-[3-(Difluoromethyl)-4-fluorophenoxy]-2-pyridinyl]-2-fluorophenol
CID 166631484
5-[[6-(2,4-Difluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol
CID 166632767
2-Fluoro-5-[[6-(4-methoxyphenyl)-2-pyridinyl]oxy]phenol
CID 166633412
3-[6-(4-Fluoro-3-hydroxyphenoxy)-2-pyridinyl]benzonitrile
CID 166635800

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol?
The IUPAC name of 5-[[6-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol (CID 166636291) is 5-[[6-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol.
What is the SMILES notation for 5-[[6-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol?
The canonical SMILES for 5-[[6-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol is Oc1cc(Oc2cccc(-c3ccc(Cl)c(C(F)(F)F)c3)n2)ccc1F.
What is the InChIKey of 5-[[6-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol?
The InChIKey is MOAFAFSRTSYLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF4NO2/c19-13-6-4-10(8-12(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-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol?
5-[[6-[4-chloro-3-(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-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-2-fluorophenol is sourced from PubChem (CID 166636291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).