5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione

C7H3F2N3O2 — CID 57134343

IUPAC5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc(F)nc(F)c2[nH]c1=O
InChIInChI=1S/C7H3F2N3O2/c8-3-1-2-4(5(9)11-3)12-7(14)6(13)10-2/h1H,(H,10,13)(H,12,14)
InChIKeyRQKMATWVOFPPLO-UHFFFAOYSA-N
MW199.12 g/mol
LogP-0.11
Rot. Bonds

About 5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione

5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione (PubChem CID 57134343) has the molecular formula C7H3F2N3O2 and a molecular weight of 199.12 g/mol. Its IUPAC name is 5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione
PubChem CID57134343
Molecular FormulaC7H3F2N3O2
Molecular Weight199.12 g/mol
Exact Mass199.02
IUPAC Name5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc(F)nc(F)c2[nH]c1=O
InChIInChI=1S/C7H3F2N3O2/c8-3-1-2-4(5(9)11-3)12-7(14)6(13)10-2/h1H,(H,10,13)(H,12,14)
InChIKeyRQKMATWVOFPPLO-UHFFFAOYSA-N
XLogP-0.11
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione?
The IUPAC name of 5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione (CID 57134343) is 5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione.
What is the SMILES notation for 5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione?
The canonical SMILES for 5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione is O=c1[nH]c2cc(F)nc(F)c2[nH]c1=O.
What is the InChIKey of 5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione?
The InChIKey is RQKMATWVOFPPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2N3O2/c8-3-1-2-4(5(9)11-3)12-7(14)6(13)10-2/h1H,(H,10,13)(H,12,14).
What are the key properties of 5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione?
5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione has a molecular weight of 199.12 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione is sourced from PubChem (CID 57134343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).