ethyl 4-(4-fluorophenyl)-3,5-dioxo-2H-pyrazine-6-carboxylate

C13H11FN2O4 — CID 167597991

IUPACethyl 4-(4-fluorophenyl)-3,5-dioxo-2H-pyrazine-6-carboxylate
SMILESCCOC(=O)C1=NCC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H11FN2O4/c1-2-20-13(19)11-12(18)16(10(17)7-15-11)9-5-3-8(14)4-6-9/h3-6H,2,7H2,1H3
InChIKeyJIOJEEJOBMCMFT-UHFFFAOYSA-N
MW278.24 g/mol
LogP0.70
Rot. Bonds3

About ethyl 4-(4-fluorophenyl)-3,5-dioxo-2H-pyrazine-6-carboxylate

ethyl 4-(4-fluorophenyl)-3,5-dioxo-2H-pyrazine-6-carboxylate (PubChem CID 167597991) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-3,5-dioxo-2H-pyrazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-3,5-dioxo-2H-pyrazine-6-carboxylate
PubChem CID167597991
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Nameethyl 4-(4-fluorophenyl)-3,5-dioxo-2H-pyrazine-6-carboxylate
SMILESCCOC(=O)C1=NCC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H11FN2O4/c1-2-20-13(19)11-12(18)16(10(17)7-15-11)9-5-3-8(14)4-6-9/h3-6H,2,7H2,1H3
InChIKeyJIOJEEJOBMCMFT-UHFFFAOYSA-N
XLogP0.70
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-3,5-dioxo-2H-pyrazine-6-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-3,5-dioxo-2H-pyrazine-6-carboxylate (CID 167597991) is ethyl 4-(4-fluorophenyl)-3,5-dioxo-2H-pyrazine-6-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-3,5-dioxo-2H-pyrazine-6-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-3,5-dioxo-2H-pyrazine-6-carboxylate is CCOC(=O)C1=NCC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-3,5-dioxo-2H-pyrazine-6-carboxylate?
The InChIKey is JIOJEEJOBMCMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4/c1-2-20-13(19)11-12(18)16(10(17)7-15-11)9-5-3-8(14)4-6-9/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-3,5-dioxo-2H-pyrazine-6-carboxylate?
ethyl 4-(4-fluorophenyl)-3,5-dioxo-2H-pyrazine-6-carboxylate has a molecular weight of 278.24 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-3,5-dioxo-2H-pyrazine-6-carboxylate is sourced from PubChem (CID 167597991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).