5-fluoro-2-hydroxy-1,2-dihydroindol-3-one

C8H6FNO2 — CID 129015122

IUPAC5-fluoro-2-hydroxy-1,2-dihydroindol-3-one
SMILESO=C1c2cc(F)ccc2NC1O
InChIInChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,8,10,12H
InChIKeyAFVZJQDTZXDWGO-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.75
Rot. Bonds

About 5-fluoro-2-hydroxy-1,2-dihydroindol-3-one

5-fluoro-2-hydroxy-1,2-dihydroindol-3-one (PubChem CID 129015122) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-1,2-dihydroindol-3-one.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-1,2-dihydroindol-3-one
PubChem CID129015122
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name5-fluoro-2-hydroxy-1,2-dihydroindol-3-one
SMILESO=C1c2cc(F)ccc2NC1O
InChIInChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,8,10,12H
InChIKeyAFVZJQDTZXDWGO-UHFFFAOYSA-N
XLogP0.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-1,2-dihydroindol-3-one?
The IUPAC name of 5-fluoro-2-hydroxy-1,2-dihydroindol-3-one (CID 129015122) is 5-fluoro-2-hydroxy-1,2-dihydroindol-3-one.
What is the SMILES notation for 5-fluoro-2-hydroxy-1,2-dihydroindol-3-one?
The canonical SMILES for 5-fluoro-2-hydroxy-1,2-dihydroindol-3-one is O=C1c2cc(F)ccc2NC1O.
What is the InChIKey of 5-fluoro-2-hydroxy-1,2-dihydroindol-3-one?
The InChIKey is AFVZJQDTZXDWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,8,10,12H.
What are the key properties of 5-fluoro-2-hydroxy-1,2-dihydroindol-3-one?
5-fluoro-2-hydroxy-1,2-dihydroindol-3-one has a molecular weight of 167.14 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-1,2-dihydroindol-3-one is sourced from PubChem (CID 129015122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).