4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione

C11H8F2N2O2 — CID 121199579

IUPAC4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione
SMILESO=c1[nH]ccn(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C11H8F2N2O2/c12-8-2-1-7(9(13)5-8)6-15-4-3-14-10(16)11(15)17/h1-5H,6H2,(H,14,16)
InChIKeyIXBOUUGSDHDIPO-UHFFFAOYSA-N
MW238.19 g/mol
LogP0.86
Rot. Bonds2

About 4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione

4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione (PubChem CID 121199579) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione
PubChem CID121199579
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione
SMILESO=c1[nH]ccn(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C11H8F2N2O2/c12-8-2-1-7(9(13)5-8)6-15-4-3-14-10(16)11(15)17/h1-5H,6H2,(H,14,16)
InChIKeyIXBOUUGSDHDIPO-UHFFFAOYSA-N
XLogP0.86
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione?
The IUPAC name of 4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione (CID 121199579) is 4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione is O=c1[nH]ccn(Cc2ccc(F)cc2F)c1=O.
What is the InChIKey of 4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione?
The InChIKey is IXBOUUGSDHDIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c12-8-2-1-7(9(13)5-8)6-15-4-3-14-10(16)11(15)17/h1-5H,6H2,(H,14,16).
What are the key properties of 4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione?
4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione has a molecular weight of 238.19 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methyl]-1H-pyrazine-2,3-dione is sourced from PubChem (CID 121199579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).