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

C20H12ClFN2O3 — CID 163233985

IUPAC3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1
InChIInChI=1S/C20H12ClFN2O3/c21-16-8-12(20(26)27)1-4-15(16)11-2-6-18-13(7-11)10-23-24(18)14-3-5-17(22)19(25)9-14/h1-10,25H,(H,26,27)
InChIKeySLEGQDBKVRZMSW-UHFFFAOYSA-N
MW382.78 g/mol
LogP4.89
Rot. Bonds3

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

3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid (PubChem CID 163233985) has the molecular formula C20H12ClFN2O3 and a molecular weight of 382.78 g/mol. Its IUPAC name is 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid.

Molecular Properties

Compound Name3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid
PubChem CID163233985
Molecular FormulaC20H12ClFN2O3
Molecular Weight382.78 g/mol
Exact Mass382.05
IUPAC Name3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1
InChIInChI=1S/C20H12ClFN2O3/c21-16-8-12(20(26)27)1-4-15(16)11-2-6-18-13(7-11)10-23-24(18)14-3-5-17(22)19(25)9-14/h1-10,25H,(H,26,27)
InChIKeySLEGQDBKVRZMSW-UHFFFAOYSA-N
XLogP4.89
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.78
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-[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-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid?
The IUPAC name of 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid (CID 163233985) is 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid.
What is the SMILES notation for 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid?
The canonical SMILES for 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid is O=C(O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid?
The InChIKey is SLEGQDBKVRZMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN2O3/c21-16-8-12(20(26)27)1-4-15(16)11-2-6-18-13(7-11)10-23-24(18)14-3-5-17(22)19(25)9-14/h1-10,25H,(H,26,27).
What are the key properties of 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid?
3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid has a molecular weight of 382.78 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzoic acid is sourced from PubChem (CID 163233985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).