1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one

C9H8FN3O2 — CID 115497588

IUPAC1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)c1cccc(F)n1
InChIInChI=1S/C9H8FN3O2/c10-7-3-1-2-6(12-7)8(14)13-5-4-11-9(13)15/h1-3H,4-5H2,(H,11,15)
InChIKeyLEJIETHXYHXQEF-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.39
Rot. Bonds1

About 1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one

1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one (PubChem CID 115497588) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is 1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one
PubChem CID115497588
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Name1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)c1cccc(F)n1
InChIInChI=1S/C9H8FN3O2/c10-7-3-1-2-6(12-7)8(14)13-5-4-11-9(13)15/h1-3H,4-5H2,(H,11,15)
InChIKeyLEJIETHXYHXQEF-UHFFFAOYSA-N
XLogP0.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one (CID 115497588) is 1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one is O=C1NCCN1C(=O)c1cccc(F)n1.
What is the InChIKey of 1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one?
The InChIKey is LEJIETHXYHXQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2/c10-7-3-1-2-6(12-7)8(14)13-5-4-11-9(13)15/h1-3H,4-5H2,(H,11,15).
What are the key properties of 1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one?
1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one has a molecular weight of 209.18 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 115497588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).