1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione

C9H8ClN3O2 — CID 122226815

IUPAC1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESO=C1CN(Cc2ccc(Cl)nc2)C(=O)N1
InChIInChI=1S/C9H8ClN3O2/c10-7-2-1-6(3-11-7)4-13-5-8(14)12-9(13)15/h1-3H,4-5H2,(H,12,14,15)
InChIKeyQIDUXKAQZLOGDF-UHFFFAOYSA-N
MW225.64 g/mol
LogP0.79
Rot. Bonds2

About 1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione

1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione (PubChem CID 122226815) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione
PubChem CID122226815
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESO=C1CN(Cc2ccc(Cl)nc2)C(=O)N1
InChIInChI=1S/C9H8ClN3O2/c10-7-2-1-6(3-11-7)4-13-5-8(14)12-9(13)15/h1-3H,4-5H2,(H,12,14,15)
InChIKeyQIDUXKAQZLOGDF-UHFFFAOYSA-N
XLogP0.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione (CID 122226815) is 1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione is O=C1CN(Cc2ccc(Cl)nc2)C(=O)N1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione?
The InChIKey is QIDUXKAQZLOGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c10-7-2-1-6(3-11-7)4-13-5-8(14)12-9(13)15/h1-3H,4-5H2,(H,12,14,15).
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione?
1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione has a molecular weight of 225.64 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 122226815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).