3-(2,4-dichlorobenzoyl)-1H-pyridine-2,4-dione

C12H7Cl2NO3 — CID 19417352

IUPAC3-(2,4-dichlorobenzoyl)-1H-pyridine-2,4-dione
SMILESO=C1C=CNC(=O)C1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2NO3/c13-6-1-2-7(8(14)5-6)11(17)10-9(16)3-4-15-12(10)18/h1-5,10H,(H,15,18)
InChIKeyXZWVPVLBXBGPFG-UHFFFAOYSA-N
MW284.10 g/mol
LogP2.00
Rot. Bonds2

About 3-(2,4-dichlorobenzoyl)-1H-pyridine-2,4-dione

3-(2,4-dichlorobenzoyl)-1H-pyridine-2,4-dione (PubChem CID 19417352) has the molecular formula C12H7Cl2NO3 and a molecular weight of 284.10 g/mol. Its IUPAC name is 3-(2,4-dichlorobenzoyl)-1H-pyridine-2,4-dione.

Molecular Properties

Compound Name3-(2,4-dichlorobenzoyl)-1H-pyridine-2,4-dione
PubChem CID19417352
Molecular FormulaC12H7Cl2NO3
Molecular Weight284.10 g/mol
Exact Mass282.98
IUPAC Name3-(2,4-dichlorobenzoyl)-1H-pyridine-2,4-dione
SMILESO=C1C=CNC(=O)C1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2NO3/c13-6-1-2-7(8(14)5-6)11(17)10-9(16)3-4-15-12(10)18/h1-5,10H,(H,15,18)
InChIKeyXZWVPVLBXBGPFG-UHFFFAOYSA-N
XLogP2.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorobenzoyl)-1H-pyridine-2,4-dione?
The IUPAC name of 3-(2,4-dichlorobenzoyl)-1H-pyridine-2,4-dione (CID 19417352) is 3-(2,4-dichlorobenzoyl)-1H-pyridine-2,4-dione.
What is the SMILES notation for 3-(2,4-dichlorobenzoyl)-1H-pyridine-2,4-dione?
The canonical SMILES for 3-(2,4-dichlorobenzoyl)-1H-pyridine-2,4-dione is O=C1C=CNC(=O)C1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorobenzoyl)-1H-pyridine-2,4-dione?
The InChIKey is XZWVPVLBXBGPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO3/c13-6-1-2-7(8(14)5-6)11(17)10-9(16)3-4-15-12(10)18/h1-5,10H,(H,15,18).
What are the key properties of 3-(2,4-dichlorobenzoyl)-1H-pyridine-2,4-dione?
3-(2,4-dichlorobenzoyl)-1H-pyridine-2,4-dione has a molecular weight of 284.10 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorobenzoyl)-1H-pyridine-2,4-dione is sourced from PubChem (CID 19417352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).