1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione

C10H7FN2O2 — CID 107595185

IUPAC1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccncc2F)C1=O
InChIInChI=1S/C10H7FN2O2/c1-6-4-9(14)13(10(6)15)8-2-3-12-5-7(8)11/h2-5H,1H3
InChIKeySSENOFOQGMSDML-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.04
Rot. Bonds1

About 1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione

1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione (PubChem CID 107595185) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione
PubChem CID107595185
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccncc2F)C1=O
InChIInChI=1S/C10H7FN2O2/c1-6-4-9(14)13(10(6)15)8-2-3-12-5-7(8)11/h2-5H,1H3
InChIKeySSENOFOQGMSDML-UHFFFAOYSA-N
XLogP1.04
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione (CID 107595185) is 1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(c2ccncc2F)C1=O.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione?
The InChIKey is SSENOFOQGMSDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c1-6-4-9(14)13(10(6)15)8-2-3-12-5-7(8)11/h2-5H,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione?
1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione has a molecular weight of 206.18 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 107595185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).