5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]-2-fluorophenol

C17H11ClFNO2 — CID 166625269

IUPAC5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]-2-fluorophenol
SMILESOc1cc(Oc2cccc(-c3ccc(Cl)cc3)n2)ccc1F
InChIInChI=1S/C17H11ClFNO2/c18-12-6-4-11(5-7-12)15-2-1-3-17(20-15)22-13-8-9-14(19)16(21)10-13/h1-10,21H
InChIKeyBFHHFIIIDYADSM-UHFFFAOYSA-N
MW315.73 g/mol
LogP5.04
Rot. Bonds3

About 5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]-2-fluorophenol

5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]-2-fluorophenol (PubChem CID 166625269) has the molecular formula C17H11ClFNO2 and a molecular weight of 315.73 g/mol. Its IUPAC name is 5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]-2-fluorophenol.

Molecular Properties

Compound Name5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]-2-fluorophenol
PubChem CID166625269
Molecular FormulaC17H11ClFNO2
Molecular Weight315.73 g/mol
Exact Mass315.05
IUPAC Name5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]-2-fluorophenol
SMILESOc1cc(Oc2cccc(-c3ccc(Cl)cc3)n2)ccc1F
InChIInChI=1S/C17H11ClFNO2/c18-12-6-4-11(5-7-12)15-2-1-3-17(20-15)22-13-8-9-14(19)16(21)10-13/h1-10,21H
InChIKeyBFHHFIIIDYADSM-UHFFFAOYSA-N
XLogP5.04
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.73
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]-2-fluorophenol?
The IUPAC name of 5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]-2-fluorophenol (CID 166625269) is 5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]-2-fluorophenol.
What is the SMILES notation for 5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]-2-fluorophenol?
The canonical SMILES for 5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]-2-fluorophenol is Oc1cc(Oc2cccc(-c3ccc(Cl)cc3)n2)ccc1F.
What is the InChIKey of 5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]-2-fluorophenol?
The InChIKey is BFHHFIIIDYADSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO2/c18-12-6-4-11(5-7-12)15-2-1-3-17(20-15)22-13-8-9-14(19)16(21)10-13/h1-10,21H.
What are the key properties of 5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]-2-fluorophenol?
5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]-2-fluorophenol has a molecular weight of 315.73 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(4-chlorophenyl)-2-pyridinyl]oxy]-2-fluorophenol is sourced from PubChem (CID 166625269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).