5-fluoro-7-nitroindol-2-one

C8H3FN2O3 — CID 68526277

IUPAC5-fluoro-7-nitroindol-2-one
SMILESO=C1C=c2cc(F)cc([N+](=O)[O-])c2=N1
InChIInChI=1S/C8H3FN2O3/c9-5-1-4-2-7(12)10-8(4)6(3-5)11(13)14/h1-3H
InChIKeyZXGPOWTWYAVNAJ-UHFFFAOYSA-N
MW194.12 g/mol
LogP-0.33
Rot. Bonds1

About 5-fluoro-7-nitroindol-2-one

5-fluoro-7-nitroindol-2-one (PubChem CID 68526277) has the molecular formula C8H3FN2O3 and a molecular weight of 194.12 g/mol. Its IUPAC name is 5-fluoro-7-nitroindol-2-one.

Molecular Properties

Compound Name5-fluoro-7-nitroindol-2-one
PubChem CID68526277
Molecular FormulaC8H3FN2O3
Molecular Weight194.12 g/mol
Exact Mass194.01
IUPAC Name5-fluoro-7-nitroindol-2-one
SMILESO=C1C=c2cc(F)cc([N+](=O)[O-])c2=N1
InChIInChI=1S/C8H3FN2O3/c9-5-1-4-2-7(12)10-8(4)6(3-5)11(13)14/h1-3H
InChIKeyZXGPOWTWYAVNAJ-UHFFFAOYSA-N
XLogP-0.33
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-nitroindol-2-one?
The IUPAC name of 5-fluoro-7-nitroindol-2-one (CID 68526277) is 5-fluoro-7-nitroindol-2-one.
What is the SMILES notation for 5-fluoro-7-nitroindol-2-one?
The canonical SMILES for 5-fluoro-7-nitroindol-2-one is O=C1C=c2cc(F)cc([N+](=O)[O-])c2=N1.
What is the InChIKey of 5-fluoro-7-nitroindol-2-one?
The InChIKey is ZXGPOWTWYAVNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3FN2O3/c9-5-1-4-2-7(12)10-8(4)6(3-5)11(13)14/h1-3H.
What are the key properties of 5-fluoro-7-nitroindol-2-one?
5-fluoro-7-nitroindol-2-one has a molecular weight of 194.12 g/mol, XLogP of -0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-nitroindol-2-one is sourced from PubChem (CID 68526277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).