7,8-dichlorochromeno[2,3-d]pyrimidine-2,4-dione

C11H4Cl2N2O3 — CID 23457434

IUPAC7,8-dichlorochromeno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2oc3cc(Cl)c(Cl)cc3cc-2c(=O)[nH]1
InChIInChI=1S/C11H4Cl2N2O3/c12-6-2-4-1-5-9(16)14-11(17)15-10(5)18-8(4)3-7(6)13/h1-3H,(H,14,16,17)
InChIKeyZDBOVULILKRBAK-UHFFFAOYSA-N
MW283.07 g/mol
LogP2.29
Rot. Bonds

About 7,8-dichlorochromeno[2,3-d]pyrimidine-2,4-dione

7,8-dichlorochromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 23457434) has the molecular formula C11H4Cl2N2O3 and a molecular weight of 283.07 g/mol. Its IUPAC name is 7,8-dichlorochromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7,8-dichlorochromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID23457434
Molecular FormulaC11H4Cl2N2O3
Molecular Weight283.07 g/mol
Exact Mass281.96
IUPAC Name7,8-dichlorochromeno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2oc3cc(Cl)c(Cl)cc3cc-2c(=O)[nH]1
InChIInChI=1S/C11H4Cl2N2O3/c12-6-2-4-1-5-9(16)14-11(17)15-10(5)18-8(4)3-7(6)13/h1-3H,(H,14,16,17)
InChIKeyZDBOVULILKRBAK-UHFFFAOYSA-N
XLogP2.29
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.07
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichlorochromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7,8-dichlorochromeno[2,3-d]pyrimidine-2,4-dione (CID 23457434) is 7,8-dichlorochromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7,8-dichlorochromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7,8-dichlorochromeno[2,3-d]pyrimidine-2,4-dione is O=c1nc2oc3cc(Cl)c(Cl)cc3cc-2c(=O)[nH]1.
What is the InChIKey of 7,8-dichlorochromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZDBOVULILKRBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl2N2O3/c12-6-2-4-1-5-9(16)14-11(17)15-10(5)18-8(4)3-7(6)13/h1-3H,(H,14,16,17).
What are the key properties of 7,8-dichlorochromeno[2,3-d]pyrimidine-2,4-dione?
7,8-dichlorochromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 283.07 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichlorochromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 23457434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).