4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid

C15H9F3N2O2 — CID 155410758

IUPAC4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)10-5-6-12-11(7-10)13(20-19-12)8-1-3-9(4-2-8)14(21)22/h1-7H,(H,19,20)(H,21,22)
InChIKeyPPEQKTNTCJOCHX-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.95
Rot. Bonds2

About 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid

4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid (PubChem CID 155410758) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid
PubChem CID155410758
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)10-5-6-12-11(7-10)13(20-19-12)8-1-3-9(4-2-8)14(21)22/h1-7H,(H,19,20)(H,21,22)
InChIKeyPPEQKTNTCJOCHX-UHFFFAOYSA-N
XLogP3.95
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[5-(trifluoromethyl)-1H-indazol-3-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 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid?
The IUPAC name of 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid (CID 155410758) is 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid.
What is the SMILES notation for 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid?
The canonical SMILES for 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid is O=C(O)c1ccc(-c2n[nH]c3ccc(C(F)(F)F)cc23)cc1.
What is the InChIKey of 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid?
The InChIKey is PPEQKTNTCJOCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)10-5-6-12-11(7-10)13(20-19-12)8-1-3-9(4-2-8)14(21)22/h1-7H,(H,19,20)(H,21,22).
What are the key properties of 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid?
4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid has a molecular weight of 306.24 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-1H-indazol-3-yl]benzoic acid is sourced from PubChem (CID 155410758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).