3-(5-fluoro-1H-indol-3-yl)-3-hydroxy-1H-indol-2-one

C16H11FN2O2 — CID 118710083

IUPAC3-(5-fluoro-1H-indol-3-yl)-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C16H11FN2O2/c17-9-5-6-13-10(7-9)12(8-18-13)16(21)11-3-1-2-4-14(11)19-15(16)20/h1-8,18,21H,(H,19,20)
InChIKeyQMXKTXZWIQFQSV-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.49
Rot. Bonds1

About 3-(5-fluoro-1H-indol-3-yl)-3-hydroxy-1H-indol-2-one

3-(5-fluoro-1H-indol-3-yl)-3-hydroxy-1H-indol-2-one (PubChem CID 118710083) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indol-3-yl)-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-fluoro-1H-indol-3-yl)-3-hydroxy-1H-indol-2-one
PubChem CID118710083
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name3-(5-fluoro-1H-indol-3-yl)-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C16H11FN2O2/c17-9-5-6-13-10(7-9)12(8-18-13)16(21)11-3-1-2-4-14(11)19-15(16)20/h1-8,18,21H,(H,19,20)
InChIKeyQMXKTXZWIQFQSV-UHFFFAOYSA-N
XLogP2.49
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-3-hydroxy-1H-indol-2-one (CID 118710083) is 3-(5-fluoro-1H-indol-3-yl)-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-(5-fluoro-1H-indol-3-yl)-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-(5-fluoro-1H-indol-3-yl)-3-hydroxy-1H-indol-2-one is O=C1Nc2ccccc2C1(O)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 3-(5-fluoro-1H-indol-3-yl)-3-hydroxy-1H-indol-2-one?
The InChIKey is QMXKTXZWIQFQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-9-5-6-13-10(7-9)12(8-18-13)16(21)11-3-1-2-4-14(11)19-15(16)20/h1-8,18,21H,(H,19,20).
What are the key properties of 3-(5-fluoro-1H-indol-3-yl)-3-hydroxy-1H-indol-2-one?
3-(5-fluoro-1H-indol-3-yl)-3-hydroxy-1H-indol-2-one has a molecular weight of 282.27 g/mol, XLogP of 2.49, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-indol-3-yl)-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 118710083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).