4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid

C21H15FN2O2 — CID 69057912

IUPAC4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2c3ccccc3nn2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C21H15FN2O2/c22-17-11-5-14(6-12-17)13-24-20(18-3-1-2-4-19(18)23-24)15-7-9-16(10-8-15)21(25)26/h1-12H,13H2,(H,25,26)
InChIKeyVORSNKAUTOZTSH-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.59
Rot. Bonds4

About 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid

4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid (PubChem CID 69057912) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid
PubChem CID69057912
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Name4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2c3ccccc3nn2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C21H15FN2O2/c22-17-11-5-14(6-12-17)13-24-20(18-3-1-2-4-19(18)23-24)15-7-9-16(10-8-15)21(25)26/h1-12H,13H2,(H,25,26)
InChIKeyVORSNKAUTOZTSH-UHFFFAOYSA-N
XLogP4.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid?
The IUPAC name of 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid (CID 69057912) is 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid?
The canonical SMILES for 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid is O=C(O)c1ccc(-c2c3ccccc3nn2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid?
The InChIKey is VORSNKAUTOZTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c22-17-11-5-14(6-12-17)13-24-20(18-3-1-2-4-19(18)23-24)15-7-9-16(10-8-15)21(25)26/h1-12H,13H2,(H,25,26).
What are the key properties of 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid?
4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid has a molecular weight of 346.36 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoic acid is sourced from PubChem (CID 69057912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).