6-chlorochromeno[2,3-d]pyrimidine-2,4-dione

C11H5ClN2O3 — CID 23457487

IUPAC6-chlorochromeno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2oc3cccc(Cl)c3cc-2c(=O)[nH]1
InChIInChI=1S/C11H5ClN2O3/c12-7-2-1-3-8-5(7)4-6-9(15)13-11(16)14-10(6)17-8/h1-4H,(H,13,15,16)
InChIKeyHMJDAXUUIIZVRM-UHFFFAOYSA-N
MW248.62 g/mol
LogP1.63
Rot. Bonds

About 6-chlorochromeno[2,3-d]pyrimidine-2,4-dione

6-chlorochromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 23457487) has the molecular formula C11H5ClN2O3 and a molecular weight of 248.62 g/mol. Its IUPAC name is 6-chlorochromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chlorochromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID23457487
Molecular FormulaC11H5ClN2O3
Molecular Weight248.62 g/mol
Exact Mass248.00
IUPAC Name6-chlorochromeno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2oc3cccc(Cl)c3cc-2c(=O)[nH]1
InChIInChI=1S/C11H5ClN2O3/c12-7-2-1-3-8-5(7)4-6-9(15)13-11(16)14-10(6)17-8/h1-4H,(H,13,15,16)
InChIKeyHMJDAXUUIIZVRM-UHFFFAOYSA-N
XLogP1.63
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.62
LogP ≤ 51.63
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 6-chlorochromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-chlorochromeno[2,3-d]pyrimidine-2,4-dione (CID 23457487) is 6-chlorochromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-chlorochromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-chlorochromeno[2,3-d]pyrimidine-2,4-dione is O=c1nc2oc3cccc(Cl)c3cc-2c(=O)[nH]1.
What is the InChIKey of 6-chlorochromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HMJDAXUUIIZVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClN2O3/c12-7-2-1-3-8-5(7)4-6-9(15)13-11(16)14-10(6)17-8/h1-4H,(H,13,15,16).
What are the key properties of 6-chlorochromeno[2,3-d]pyrimidine-2,4-dione?
6-chlorochromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 248.62 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorochromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 23457487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).