7-(trifluoromethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

C8H4F3N3O2 — CID 10823392

IUPAC7-(trifluoromethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc(C(F)(F)F)cnc2[nH]c1=O
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)3-1-4-5(12-2-3)14-7(16)6(15)13-4/h1-2H,(H,13,15)(H,12,14,16)
InChIKeyXGOZYDUFQQOSLB-UHFFFAOYSA-N
MW231.13 g/mol
LogP0.63
Rot. Bonds

About 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

7-(trifluoromethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 10823392) has the molecular formula C8H4F3N3O2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name7-(trifluoromethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
PubChem CID10823392
Molecular FormulaC8H4F3N3O2
Molecular Weight231.13 g/mol
Exact Mass231.03
IUPAC Name7-(trifluoromethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc(C(F)(F)F)cnc2[nH]c1=O
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)3-1-4-5(12-2-3)14-7(16)6(15)13-4/h1-2H,(H,13,15)(H,12,14,16)
InChIKeyXGOZYDUFQQOSLB-UHFFFAOYSA-N
XLogP0.63
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 50.63
H-Bond Donors ≤ 52
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 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (CID 10823392) is 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2cc(C(F)(F)F)cnc2[nH]c1=O.
What is the InChIKey of 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is XGOZYDUFQQOSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O2/c9-8(10,11)3-1-4-5(12-2-3)14-7(16)6(15)13-4/h1-2H,(H,13,15)(H,12,14,16).
What are the key properties of 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
7-(trifluoromethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 231.13 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 10823392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).