5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione

C10H7BrN2O2 — CID 132588493

IUPAC5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione
SMILESO=c1[nH]cc(-c2cccc(Br)c2)[nH]c1=O
InChIInChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)8-5-12-9(14)10(15)13-8/h1-5H,(H,12,14)(H,13,15)
InChIKeyZIGWDZKHJOVWGW-UHFFFAOYSA-N
MW267.08 g/mol
LogP1.49
Rot. Bonds1

About 5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione

5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione (PubChem CID 132588493) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione.

Molecular Properties

Compound Name5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione
PubChem CID132588493
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione
SMILESO=c1[nH]cc(-c2cccc(Br)c2)[nH]c1=O
InChIInChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)8-5-12-9(14)10(15)13-8/h1-5H,(H,12,14)(H,13,15)
InChIKeyZIGWDZKHJOVWGW-UHFFFAOYSA-N
XLogP1.49
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 117128163
6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione
CID 122239111
1-bromo-3-phenylbenzene
CID 16449
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3-(3-bromophenyl)-1H-quinoxalin-2-one
CID 11738152
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
bis[3-(3-bromophenyl)phenyl]methanone;methane
CID 158177415
5-(3-bromophenyl)-2-tert-butyl-1H-imidazole
CID 59836686
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075
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CID 117306333

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione?
The IUPAC name of 5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione (CID 132588493) is 5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione.
What is the SMILES notation for 5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione?
The canonical SMILES for 5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione is O=c1[nH]cc(-c2cccc(Br)c2)[nH]c1=O.
What is the InChIKey of 5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione?
The InChIKey is ZIGWDZKHJOVWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)8-5-12-9(14)10(15)13-8/h1-5H,(H,12,14)(H,13,15).
What are the key properties of 5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione?
5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione has a molecular weight of 267.08 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione is sourced from PubChem (CID 132588493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).