9-fluoro-8-methoxychromeno[2,3-d]pyrimidine-2,4-dione

C12H7FN2O4 — CID 129292749

IUPAC9-fluoro-8-methoxychromeno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F
InChIInChI=1S/C12H7FN2O4/c1-18-7-3-2-5-4-6-10(16)14-12(17)15-11(6)19-9(5)8(7)13/h2-4H,1H3,(H,14,16,17)
InChIKeyLFYCMOHPIWNJJH-UHFFFAOYSA-N
MW262.20 g/mol
LogP1.13
Rot. Bonds1

About 9-fluoro-8-methoxychromeno[2,3-d]pyrimidine-2,4-dione

9-fluoro-8-methoxychromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 129292749) has the molecular formula C12H7FN2O4 and a molecular weight of 262.20 g/mol. Its IUPAC name is 9-fluoro-8-methoxychromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name9-fluoro-8-methoxychromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID129292749
Molecular FormulaC12H7FN2O4
Molecular Weight262.20 g/mol
Exact Mass262.04
IUPAC Name9-fluoro-8-methoxychromeno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F
InChIInChI=1S/C12H7FN2O4/c1-18-7-3-2-5-4-6-10(16)14-12(17)15-11(6)19-9(5)8(7)13/h2-4H,1H3,(H,14,16,17)
InChIKeyLFYCMOHPIWNJJH-UHFFFAOYSA-N
XLogP1.13
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 9-fluoro-8-methoxychromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 9-fluoro-8-methoxychromeno[2,3-d]pyrimidine-2,4-dione (CID 129292749) is 9-fluoro-8-methoxychromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 9-fluoro-8-methoxychromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 9-fluoro-8-methoxychromeno[2,3-d]pyrimidine-2,4-dione is COc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1F.
What is the InChIKey of 9-fluoro-8-methoxychromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LFYCMOHPIWNJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O4/c1-18-7-3-2-5-4-6-10(16)14-12(17)15-11(6)19-9(5)8(7)13/h2-4H,1H3,(H,14,16,17).
What are the key properties of 9-fluoro-8-methoxychromeno[2,3-d]pyrimidine-2,4-dione?
9-fluoro-8-methoxychromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 262.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-8-methoxychromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 129292749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).