5,7-dichloro-4-hydroxy-1H-pyrido[3,4-b]pyrazine-2,3-dione

C7H3Cl2N3O3 — CID 15392042

IUPAC5,7-dichloro-4-hydroxy-1H-pyrido[3,4-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc(Cl)nc(Cl)c2n(O)c1=O
InChIInChI=1S/C7H3Cl2N3O3/c8-3-1-2-4(5(9)11-3)12(15)7(14)6(13)10-2/h1,15H,(H,10,13)
InChIKeyWJOYRXISLAPLDM-UHFFFAOYSA-N
MW248.02 g/mol
LogP0.63
Rot. Bonds

About 5,7-dichloro-4-hydroxy-1H-pyrido[3,4-b]pyrazine-2,3-dione

5,7-dichloro-4-hydroxy-1H-pyrido[3,4-b]pyrazine-2,3-dione (PubChem CID 15392042) has the molecular formula C7H3Cl2N3O3 and a molecular weight of 248.02 g/mol. Its IUPAC name is 5,7-dichloro-4-hydroxy-1H-pyrido[3,4-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name5,7-dichloro-4-hydroxy-1H-pyrido[3,4-b]pyrazine-2,3-dione
PubChem CID15392042
Molecular FormulaC7H3Cl2N3O3
Molecular Weight248.02 g/mol
Exact Mass246.96
IUPAC Name5,7-dichloro-4-hydroxy-1H-pyrido[3,4-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc(Cl)nc(Cl)c2n(O)c1=O
InChIInChI=1S/C7H3Cl2N3O3/c8-3-1-2-4(5(9)11-3)12(15)7(14)6(13)10-2/h1,15H,(H,10,13)
InChIKeyWJOYRXISLAPLDM-UHFFFAOYSA-N
XLogP0.63
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.02
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-hydroxy-1H-pyrido[3,4-b]pyrazine-2,3-dione?
The IUPAC name of 5,7-dichloro-4-hydroxy-1H-pyrido[3,4-b]pyrazine-2,3-dione (CID 15392042) is 5,7-dichloro-4-hydroxy-1H-pyrido[3,4-b]pyrazine-2,3-dione.
What is the SMILES notation for 5,7-dichloro-4-hydroxy-1H-pyrido[3,4-b]pyrazine-2,3-dione?
The canonical SMILES for 5,7-dichloro-4-hydroxy-1H-pyrido[3,4-b]pyrazine-2,3-dione is O=c1[nH]c2cc(Cl)nc(Cl)c2n(O)c1=O.
What is the InChIKey of 5,7-dichloro-4-hydroxy-1H-pyrido[3,4-b]pyrazine-2,3-dione?
The InChIKey is WJOYRXISLAPLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N3O3/c8-3-1-2-4(5(9)11-3)12(15)7(14)6(13)10-2/h1,15H,(H,10,13).
What are the key properties of 5,7-dichloro-4-hydroxy-1H-pyrido[3,4-b]pyrazine-2,3-dione?
5,7-dichloro-4-hydroxy-1H-pyrido[3,4-b]pyrazine-2,3-dione has a molecular weight of 248.02 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-hydroxy-1H-pyrido[3,4-b]pyrazine-2,3-dione is sourced from PubChem (CID 15392042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).