5-(1-benzofuran-2-yl)-1H-indole-2-carboxylic acid

C17H11NO3 — CID 10612557

IUPAC5-(1-benzofuran-2-yl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3cc4ccccc4o3)ccc2[nH]1
InChIInChI=1S/C17H11NO3/c19-17(20)14-8-12-7-11(5-6-13(12)18-14)16-9-10-3-1-2-4-15(10)21-16/h1-9,18H,(H,19,20)
InChIKeyGFCKGFGAJOLVQX-UHFFFAOYSA-N
MW277.28 g/mol
LogP4.28
Rot. Bonds2

About 5-(1-benzofuran-2-yl)-1H-indole-2-carboxylic acid

5-(1-benzofuran-2-yl)-1H-indole-2-carboxylic acid (PubChem CID 10612557) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-1H-indole-2-carboxylic acid
PubChem CID10612557
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Name5-(1-benzofuran-2-yl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3cc4ccccc4o3)ccc2[nH]1
InChIInChI=1S/C17H11NO3/c19-17(20)14-8-12-7-11(5-6-13(12)18-14)16-9-10-3-1-2-4-15(10)21-16/h1-9,18H,(H,19,20)
InChIKeyGFCKGFGAJOLVQX-UHFFFAOYSA-N
XLogP4.28
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-1H-indole-2-carboxylic acid?
The IUPAC name of 5-(1-benzofuran-2-yl)-1H-indole-2-carboxylic acid (CID 10612557) is 5-(1-benzofuran-2-yl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-(1-benzofuran-2-yl)-1H-indole-2-carboxylic acid is O=C(O)c1cc2cc(-c3cc4ccccc4o3)ccc2[nH]1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-1H-indole-2-carboxylic acid?
The InChIKey is GFCKGFGAJOLVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c19-17(20)14-8-12-7-11(5-6-13(12)18-14)16-9-10-3-1-2-4-15(10)21-16/h1-9,18H,(H,19,20).
What are the key properties of 5-(1-benzofuran-2-yl)-1H-indole-2-carboxylic acid?
5-(1-benzofuran-2-yl)-1H-indole-2-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 10612557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).