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

C17H10ClF2NO2 — CID 166631348

IUPAC5-[[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol
SMILESOc1cc(Oc2cccc(-c3ccc(F)c(Cl)c3)n2)ccc1F
InChIInChI=1S/C17H10ClF2NO2/c18-12-8-10(4-6-13(12)19)15-2-1-3-17(21-15)23-11-5-7-14(20)16(22)9-11/h1-9,22H
InChIKeyWGINVXBHJHNHJL-UHFFFAOYSA-N
MW333.72 g/mol
LogP5.18
Rot. Bonds3

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

5-[[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol (PubChem CID 166631348) has the molecular formula C17H10ClF2NO2 and a molecular weight of 333.72 g/mol. Its IUPAC name is 5-[[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol.

Molecular Properties

Compound Name5-[[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol
PubChem CID166631348
Molecular FormulaC17H10ClF2NO2
Molecular Weight333.72 g/mol
Exact Mass333.04
IUPAC Name5-[[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol
SMILESOc1cc(Oc2cccc(-c3ccc(F)c(Cl)c3)n2)ccc1F
InChIInChI=1S/C17H10ClF2NO2/c18-12-8-10(4-6-13(12)19)15-2-1-3-17(21-15)23-11-5-7-14(20)16(22)9-11/h1-9,22H
InChIKeyWGINVXBHJHNHJL-UHFFFAOYSA-N
XLogP5.18
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.72
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol?
The IUPAC name of 5-[[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol (CID 166631348) is 5-[[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol.
What is the SMILES notation for 5-[[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol?
The canonical SMILES for 5-[[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol is Oc1cc(Oc2cccc(-c3ccc(F)c(Cl)c3)n2)ccc1F.
What is the InChIKey of 5-[[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol?
The InChIKey is WGINVXBHJHNHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2NO2/c18-12-8-10(4-6-13(12)19)15-2-1-3-17(21-15)23-11-5-7-14(20)16(22)9-11/h1-9,22H.
What are the key properties of 5-[[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol?
5-[[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol has a molecular weight of 333.72 g/mol, XLogP of 5.18, 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-fluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol is sourced from PubChem (CID 166631348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).