2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid

C11H9FN2O3 — CID 117344197

IUPAC2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C11H9FN2O3/c12-8-5-7(10(15)11(16)17)1-2-9(8)14-4-3-13-6-14/h1-6,10,15H,(H,16,17)
InChIKeyPXSSPPMNLLJFKU-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.13
Rot. Bonds3

About 2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid

2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid (PubChem CID 117344197) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid
PubChem CID117344197
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C11H9FN2O3/c12-8-5-7(10(15)11(16)17)1-2-9(8)14-4-3-13-6-14/h1-6,10,15H,(H,16,17)
InChIKeyPXSSPPMNLLJFKU-UHFFFAOYSA-N
XLogP1.13
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid (CID 117344197) is 2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(-n2ccnc2)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid?
The InChIKey is PXSSPPMNLLJFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-8-5-7(10(15)11(16)17)1-2-9(8)14-4-3-13-6-14/h1-6,10,15H,(H,16,17).
What are the key properties of 2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid?
2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid has a molecular weight of 236.20 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117344197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).