5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one

C9H7FN2O3 — CID 142393403

IUPAC5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one
SMILESCN1Cc2cc(F)c([N+](=O)[O-])cc2C1=O
InChIInChI=1S/C9H7FN2O3/c1-11-4-5-2-7(10)8(12(14)15)3-6(5)9(11)13/h2-3H,4H2,1H3
InChIKeyPLSOSQXYJGDOHT-UHFFFAOYSA-N
MW210.16 g/mol
LogP1.32
Rot. Bonds1

About 5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one

5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one (PubChem CID 142393403) has the molecular formula C9H7FN2O3 and a molecular weight of 210.16 g/mol. Its IUPAC name is 5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one.

Molecular Properties

Compound Name5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one
PubChem CID142393403
Molecular FormulaC9H7FN2O3
Molecular Weight210.16 g/mol
Exact Mass210.04
IUPAC Name5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one
SMILESCN1Cc2cc(F)c([N+](=O)[O-])cc2C1=O
InChIInChI=1S/C9H7FN2O3/c1-11-4-5-2-7(10)8(12(14)15)3-6(5)9(11)13/h2-3H,4H2,1H3
InChIKeyPLSOSQXYJGDOHT-UHFFFAOYSA-N
XLogP1.32
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 51.32
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'}

Analyze 5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one?
The IUPAC name of 5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one (CID 142393403) is 5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one.
What is the SMILES notation for 5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one?
The canonical SMILES for 5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one is CN1Cc2cc(F)c([N+](=O)[O-])cc2C1=O.
What is the InChIKey of 5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one?
The InChIKey is PLSOSQXYJGDOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O3/c1-11-4-5-2-7(10)8(12(14)15)3-6(5)9(11)13/h2-3H,4H2,1H3.
What are the key properties of 5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one?
5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one has a molecular weight of 210.16 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-6-nitro-3H-isoindol-1-one is sourced from PubChem (CID 142393403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).