2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid

C23H17F2N3O3 — CID 18324425

IUPAC2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OC(Cn2ccnc2)c2ccc(F)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H17F2N3O3/c24-17-5-1-15(2-6-17)20(13-28-12-11-26-14-28)31-21-10-9-19(23(29)30)22(27-21)16-3-7-18(25)8-4-16/h1-12,14,20H,13H2,(H,29,30)
InChIKeyWXZFEKOAZBUCDT-UHFFFAOYSA-N
MW421.40 g/mol
LogP4.74
Rot. Bonds7

About 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid

2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid (PubChem CID 18324425) has the molecular formula C23H17F2N3O3 and a molecular weight of 421.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid
PubChem CID18324425
Molecular FormulaC23H17F2N3O3
Molecular Weight421.40 g/mol
Exact Mass421.12
IUPAC Name2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OC(Cn2ccnc2)c2ccc(F)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H17F2N3O3/c24-17-5-1-15(2-6-17)20(13-28-12-11-26-14-28)31-21-10-9-19(23(29)30)22(27-21)16-3-7-18(25)8-4-16/h1-12,14,20H,13H2,(H,29,30)
InChIKeyWXZFEKOAZBUCDT-UHFFFAOYSA-N
XLogP4.74
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid (CID 18324425) is 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid is O=C(O)c1ccc(OC(Cn2ccnc2)c2ccc(F)cc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid?
The InChIKey is WXZFEKOAZBUCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O3/c24-17-5-1-15(2-6-17)20(13-28-12-11-26-14-28)31-21-10-9-19(23(29)30)22(27-21)16-3-7-18(25)8-4-16/h1-12,14,20H,13H2,(H,29,30).
What are the key properties of 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid?
2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid has a molecular weight of 421.40 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 18324425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).