3-(5-fluoro-1H-indol-3-yl)-1H-indole-5-carboxylic acid

C17H11FN2O2 — CID 15949027

IUPAC3-(5-fluoro-1H-indol-3-yl)-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(-c3c[nH]c4ccc(F)cc34)c2c1
InChIInChI=1S/C17H11FN2O2/c18-10-2-4-16-12(6-10)14(8-20-16)13-7-19-15-3-1-9(17(21)22)5-11(13)15/h1-8,19-20H,(H,21,22)
InChIKeyOKOFMGRHJWMSQQ-UHFFFAOYSA-N
MW294.29 g/mol
LogP4.15
Rot. Bonds2

About 3-(5-fluoro-1H-indol-3-yl)-1H-indole-5-carboxylic acid

3-(5-fluoro-1H-indol-3-yl)-1H-indole-5-carboxylic acid (PubChem CID 15949027) has the molecular formula C17H11FN2O2 and a molecular weight of 294.29 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indol-3-yl)-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoro-1H-indol-3-yl)-1H-indole-5-carboxylic acid
PubChem CID15949027
Molecular FormulaC17H11FN2O2
Molecular Weight294.29 g/mol
Exact Mass294.08
IUPAC Name3-(5-fluoro-1H-indol-3-yl)-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(-c3c[nH]c4ccc(F)cc34)c2c1
InChIInChI=1S/C17H11FN2O2/c18-10-2-4-16-12(6-10)14(8-20-16)13-7-19-15-3-1-9(17(21)22)5-11(13)15/h1-8,19-20H,(H,21,22)
InChIKeyOKOFMGRHJWMSQQ-UHFFFAOYSA-N
XLogP4.15
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-1H-indole-5-carboxylic acid?
The IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-1H-indole-5-carboxylic acid (CID 15949027) is 3-(5-fluoro-1H-indol-3-yl)-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-(5-fluoro-1H-indol-3-yl)-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-(5-fluoro-1H-indol-3-yl)-1H-indole-5-carboxylic acid is O=C(O)c1ccc2[nH]cc(-c3c[nH]c4ccc(F)cc34)c2c1.
What is the InChIKey of 3-(5-fluoro-1H-indol-3-yl)-1H-indole-5-carboxylic acid?
The InChIKey is OKOFMGRHJWMSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2/c18-10-2-4-16-12(6-10)14(8-20-16)13-7-19-15-3-1-9(17(21)22)5-11(13)15/h1-8,19-20H,(H,21,22).
What are the key properties of 3-(5-fluoro-1H-indol-3-yl)-1H-indole-5-carboxylic acid?
3-(5-fluoro-1H-indol-3-yl)-1H-indole-5-carboxylic acid has a molecular weight of 294.29 g/mol, XLogP of 4.15, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-indol-3-yl)-1H-indole-5-carboxylic acid is sourced from PubChem (CID 15949027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).