6-bromo-2-phenyl-4H-pyrido[2,3-b]pyrazin-3-one

C13H8BrN3O — CID 177349463

IUPAC6-bromo-2-phenyl-4H-pyrido[2,3-b]pyrazin-3-one
SMILESO=c1[nH]c2nc(Br)ccc2nc1-c1ccccc1
InChIInChI=1S/C13H8BrN3O/c14-10-7-6-9-12(16-10)17-13(18)11(15-9)8-4-2-1-3-5-8/h1-7H,(H,16,17,18)
InChIKeyWFBSJFXRYKHMDG-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.75
Rot. Bonds1

About 6-bromo-2-phenyl-4H-pyrido[2,3-b]pyrazin-3-one

6-bromo-2-phenyl-4H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 177349463) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 6-bromo-2-phenyl-4H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-bromo-2-phenyl-4H-pyrido[2,3-b]pyrazin-3-one
PubChem CID177349463
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name6-bromo-2-phenyl-4H-pyrido[2,3-b]pyrazin-3-one
SMILESO=c1[nH]c2nc(Br)ccc2nc1-c1ccccc1
InChIInChI=1S/C13H8BrN3O/c14-10-7-6-9-12(16-10)17-13(18)11(15-9)8-4-2-1-3-5-8/h1-7H,(H,16,17,18)
InChIKeyWFBSJFXRYKHMDG-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenyl-4H-pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-bromo-2-phenyl-4H-pyrido[2,3-b]pyrazin-3-one (CID 177349463) is 6-bromo-2-phenyl-4H-pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-bromo-2-phenyl-4H-pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-bromo-2-phenyl-4H-pyrido[2,3-b]pyrazin-3-one is O=c1[nH]c2nc(Br)ccc2nc1-c1ccccc1.
What is the InChIKey of 6-bromo-2-phenyl-4H-pyrido[2,3-b]pyrazin-3-one?
The InChIKey is WFBSJFXRYKHMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-10-7-6-9-12(16-10)17-13(18)11(15-9)8-4-2-1-3-5-8/h1-7H,(H,16,17,18).
What are the key properties of 6-bromo-2-phenyl-4H-pyrido[2,3-b]pyrazin-3-one?
6-bromo-2-phenyl-4H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 302.13 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-phenyl-4H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 177349463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).