1-(6-chloropyridine-3-carbonyl)imidazolidin-2-one

C9H8ClN3O2 — CID 61216891

IUPAC1-(6-chloropyridine-3-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C9H8ClN3O2/c10-7-2-1-6(5-12-7)8(14)13-4-3-11-9(13)15/h1-2,5H,3-4H2,(H,11,15)
InChIKeyMPLMVOILXMYHOT-UHFFFAOYSA-N
MW225.64 g/mol
LogP0.90
Rot. Bonds1

About 1-(6-chloropyridine-3-carbonyl)imidazolidin-2-one

1-(6-chloropyridine-3-carbonyl)imidazolidin-2-one (PubChem CID 61216891) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 1-(6-chloropyridine-3-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(6-chloropyridine-3-carbonyl)imidazolidin-2-one
PubChem CID61216891
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name1-(6-chloropyridine-3-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C9H8ClN3O2/c10-7-2-1-6(5-12-7)8(14)13-4-3-11-9(13)15/h1-2,5H,3-4H2,(H,11,15)
InChIKeyMPLMVOILXMYHOT-UHFFFAOYSA-N
XLogP0.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 50.90
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-chloropyridine-3-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-(6-chloropyridine-3-carbonyl)imidazolidin-2-one (CID 61216891) is 1-(6-chloropyridine-3-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-(6-chloropyridine-3-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-(6-chloropyridine-3-carbonyl)imidazolidin-2-one is O=C1NCCN1C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloropyridine-3-carbonyl)imidazolidin-2-one?
The InChIKey is MPLMVOILXMYHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c10-7-2-1-6(5-12-7)8(14)13-4-3-11-9(13)15/h1-2,5H,3-4H2,(H,11,15).
What are the key properties of 1-(6-chloropyridine-3-carbonyl)imidazolidin-2-one?
1-(6-chloropyridine-3-carbonyl)imidazolidin-2-one has a molecular weight of 225.64 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridine-3-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 61216891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).