3-(2,6-dichloro-4-pyridinyl)-1-methylimidazolidine-2,4-dione

C9H7Cl2N3O2 — CID 22025305

IUPAC3-(2,6-dichloro-4-pyridinyl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(c2cc(Cl)nc(Cl)c2)C1=O
InChIInChI=1S/C9H7Cl2N3O2/c1-13-4-8(15)14(9(13)16)5-2-6(10)12-7(11)3-5/h2-3H,4H2,1H3
InChIKeyKRCOBMGZGOWBRY-UHFFFAOYSA-N
MW260.08 g/mol
LogP1.79
Rot. Bonds1

About 3-(2,6-dichloro-4-pyridinyl)-1-methylimidazolidine-2,4-dione

3-(2,6-dichloro-4-pyridinyl)-1-methylimidazolidine-2,4-dione (PubChem CID 22025305) has the molecular formula C9H7Cl2N3O2 and a molecular weight of 260.08 g/mol. Its IUPAC name is 3-(2,6-dichloro-4-pyridinyl)-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,6-dichloro-4-pyridinyl)-1-methylimidazolidine-2,4-dione
PubChem CID22025305
Molecular FormulaC9H7Cl2N3O2
Molecular Weight260.08 g/mol
Exact Mass258.99
IUPAC Name3-(2,6-dichloro-4-pyridinyl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(c2cc(Cl)nc(Cl)c2)C1=O
InChIInChI=1S/C9H7Cl2N3O2/c1-13-4-8(15)14(9(13)16)5-2-6(10)12-7(11)3-5/h2-3H,4H2,1H3
InChIKeyKRCOBMGZGOWBRY-UHFFFAOYSA-N
XLogP1.79
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 51.79
H-Bond Donors ≤ 50
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 3-(2,6-dichloro-4-pyridinyl)-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(2,6-dichloro-4-pyridinyl)-1-methylimidazolidine-2,4-dione (CID 22025305) is 3-(2,6-dichloro-4-pyridinyl)-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2,6-dichloro-4-pyridinyl)-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2,6-dichloro-4-pyridinyl)-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(c2cc(Cl)nc(Cl)c2)C1=O.
What is the InChIKey of 3-(2,6-dichloro-4-pyridinyl)-1-methylimidazolidine-2,4-dione?
The InChIKey is KRCOBMGZGOWBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O2/c1-13-4-8(15)14(9(13)16)5-2-6(10)12-7(11)3-5/h2-3H,4H2,1H3.
What are the key properties of 3-(2,6-dichloro-4-pyridinyl)-1-methylimidazolidine-2,4-dione?
3-(2,6-dichloro-4-pyridinyl)-1-methylimidazolidine-2,4-dione has a molecular weight of 260.08 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-4-pyridinyl)-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 22025305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).