3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxylic acid

C16H9FN2O3 — CID 22260644

IUPAC3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F
InChIInChI=1S/C16H9FN2O3/c17-14-9(16(20)21)5-6-10-13(14)15(19-18-10)12-7-8-3-1-2-4-11(8)22-12/h1-7H,(H,18,19)(H,20,21)
InChIKeySBAJSYSROUNQPP-UHFFFAOYSA-N
MW296.26 g/mol
LogP3.81
Rot. Bonds2

About 3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxylic acid

3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxylic acid (PubChem CID 22260644) has the molecular formula C16H9FN2O3 and a molecular weight of 296.26 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxylic acid
PubChem CID22260644
Molecular FormulaC16H9FN2O3
Molecular Weight296.26 g/mol
Exact Mass296.06
IUPAC Name3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F
InChIInChI=1S/C16H9FN2O3/c17-14-9(16(20)21)5-6-10-13(14)15(19-18-10)12-7-8-3-1-2-4-11(8)22-12/h1-7H,(H,18,19)(H,20,21)
InChIKeySBAJSYSROUNQPP-UHFFFAOYSA-N
XLogP3.81
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxylic acid (CID 22260644) is 3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxylic acid is O=C(O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F.
What is the InChIKey of 3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxylic acid?
The InChIKey is SBAJSYSROUNQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN2O3/c17-14-9(16(20)21)5-6-10-13(14)15(19-18-10)12-7-8-3-1-2-4-11(8)22-12/h1-7H,(H,18,19)(H,20,21).
What are the key properties of 3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxylic acid?
3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxylic acid has a molecular weight of 296.26 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 22260644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).