4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione

C13H8ClN3O2 — CID 20565456

IUPAC4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cccnc2n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C13H8ClN3O2/c14-8-3-5-9(6-4-8)17-11-10(2-1-7-15-11)16-12(18)13(17)19/h1-7H,(H,16,18)
InChIKeyOAFYYCVSUWHGKR-UHFFFAOYSA-N
MW273.68 g/mol
LogP1.73
Rot. Bonds1

About 4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione

4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 20565456) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
PubChem CID20565456
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cccnc2n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C13H8ClN3O2/c14-8-3-5-9(6-4-8)17-11-10(2-1-7-15-11)16-12(18)13(17)19/h1-7H,(H,16,18)
InChIKeyOAFYYCVSUWHGKR-UHFFFAOYSA-N
XLogP1.73
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione (CID 20565456) is 4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2cccnc2n(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is OAFYYCVSUWHGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-8-3-5-9(6-4-8)17-11-10(2-1-7-15-11)16-12(18)13(17)19/h1-7H,(H,16,18).
What are the key properties of 4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione?
4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 273.68 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 20565456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).