7,8-dichloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

C7H3Cl2N3O2 — CID 89477543

IUPAC7,8-dichloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2ncc(Cl)c(Cl)c2[nH]c1=O
InChIInChI=1S/C7H3Cl2N3O2/c8-2-1-10-5-4(3(2)9)11-6(13)7(14)12-5/h1H,(H,11,13)(H,10,12,14)
InChIKeyUOUKUQNWCKDDJN-UHFFFAOYSA-N
MW232.03 g/mol
LogP0.92
Rot. Bonds

About 7,8-dichloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

7,8-dichloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 89477543) has the molecular formula C7H3Cl2N3O2 and a molecular weight of 232.03 g/mol. Its IUPAC name is 7,8-dichloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name7,8-dichloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
PubChem CID89477543
Molecular FormulaC7H3Cl2N3O2
Molecular Weight232.03 g/mol
Exact Mass230.96
IUPAC Name7,8-dichloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2ncc(Cl)c(Cl)c2[nH]c1=O
InChIInChI=1S/C7H3Cl2N3O2/c8-2-1-10-5-4(3(2)9)11-6(13)7(14)12-5/h1H,(H,11,13)(H,10,12,14)
InChIKeyUOUKUQNWCKDDJN-UHFFFAOYSA-N
XLogP0.92
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 50.92
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 7,8-dichloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 7,8-dichloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (CID 89477543) is 7,8-dichloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 7,8-dichloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 7,8-dichloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2ncc(Cl)c(Cl)c2[nH]c1=O.
What is the InChIKey of 7,8-dichloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is UOUKUQNWCKDDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N3O2/c8-2-1-10-5-4(3(2)9)11-6(13)7(14)12-5/h1H,(H,11,13)(H,10,12,14).
What are the key properties of 7,8-dichloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
7,8-dichloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 232.03 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 89477543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).