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

C11H5ClN2O3 — CID 12693911

IUPAC7-chlorochromeno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2oc3ccc(Cl)cc3cc-2c(=O)[nH]1
InChIInChI=1S/C11H5ClN2O3/c12-6-1-2-8-5(3-6)4-7-9(15)13-11(16)14-10(7)17-8/h1-4H,(H,13,15,16)
InChIKeyFJNNJBSVJLXTPR-UHFFFAOYSA-N
MW248.62 g/mol
LogP1.63
Rot. Bonds

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

7-chlorochromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 12693911) has the molecular formula C11H5ClN2O3 and a molecular weight of 248.62 g/mol. Its IUPAC name is 7-chlorochromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-chlorochromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID12693911
Molecular FormulaC11H5ClN2O3
Molecular Weight248.62 g/mol
Exact Mass248.00
IUPAC Name7-chlorochromeno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2oc3ccc(Cl)cc3cc-2c(=O)[nH]1
InChIInChI=1S/C11H5ClN2O3/c12-6-1-2-8-5(3-6)4-7-9(15)13-11(16)14-10(7)17-8/h1-4H,(H,13,15,16)
InChIKeyFJNNJBSVJLXTPR-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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Related Compounds

CID 1403654
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CID 55156
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CID 658552
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CID 395948
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CID 70683992
CID 70683992
CID 3572808
CID 3572808
CID 748837
CID 748837
CID 129279515
CID 129279515
CID 129292745
CID 129292745
CID 129292784
CID 129292784
CID 389248
CID 389248
CID 395956
CID 395956

Frequently Asked Questions

What is the IUPAC name of 7-chlorochromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-chlorochromeno[2,3-d]pyrimidine-2,4-dione (CID 12693911) is 7-chlorochromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-chlorochromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-chlorochromeno[2,3-d]pyrimidine-2,4-dione is O=c1nc2oc3ccc(Cl)cc3cc-2c(=O)[nH]1.
What is the InChIKey of 7-chlorochromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FJNNJBSVJLXTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClN2O3/c12-6-1-2-8-5(3-6)4-7-9(15)13-11(16)14-10(7)17-8/h1-4H,(H,13,15,16).
What are the key properties of 7-chlorochromeno[2,3-d]pyrimidine-2,4-dione?
7-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 7-chlorochromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 12693911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).