3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid

C20H13FN2O3 — CID 163233990

IUPAC3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c1
InChIInChI=1S/C20H13FN2O3/c21-17-6-5-16(10-19(17)24)23-18-7-4-13(9-15(18)11-22-23)12-2-1-3-14(8-12)20(25)26/h1-11,24H,(H,25,26)
InChIKeyBVFKSOKGFAGWQE-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.24
Rot. Bonds3

About 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid

3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid (PubChem CID 163233990) has the molecular formula C20H13FN2O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid.

Molecular Properties

Compound Name3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid
PubChem CID163233990
Molecular FormulaC20H13FN2O3
Molecular Weight348.33 g/mol
Exact Mass348.09
IUPAC Name3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c1
InChIInChI=1S/C20H13FN2O3/c21-17-6-5-16(10-19(17)24)23-18-7-4-13(9-15(18)11-22-23)12-2-1-3-14(8-12)20(25)26/h1-11,24H,(H,25,26)
InChIKeyBVFKSOKGFAGWQE-UHFFFAOYSA-N
XLogP4.24
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid 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 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid?
The IUPAC name of 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid (CID 163233990) is 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid.
What is the SMILES notation for 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid?
The canonical SMILES for 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid is O=C(O)c1cccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c1.
What is the InChIKey of 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid?
The InChIKey is BVFKSOKGFAGWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O3/c21-17-6-5-16(10-19(17)24)23-18-7-4-13(9-15(18)11-22-23)12-2-1-3-14(8-12)20(25)26/h1-11,24H,(H,25,26).
What are the key properties of 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid?
3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid has a molecular weight of 348.33 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid is sourced from PubChem (CID 163233990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).