7-bromo-3-ethyl-1H-pyrido[2,3-b]pyrazin-2-one

C9H8BrN3O — CID 168984379

IUPAC7-bromo-3-ethyl-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCCc1nc2ncc(Br)cc2[nH]c1=O
InChIInChI=1S/C9H8BrN3O/c1-2-6-9(14)13-7-3-5(10)4-11-8(7)12-6/h3-4H,2H2,1H3,(H,13,14)
InChIKeyJJVLYKJFMBEFKB-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.64
Rot. Bonds1

About 7-bromo-3-ethyl-1H-pyrido[2,3-b]pyrazin-2-one

7-bromo-3-ethyl-1H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 168984379) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is 7-bromo-3-ethyl-1H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name7-bromo-3-ethyl-1H-pyrido[2,3-b]pyrazin-2-one
PubChem CID168984379
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name7-bromo-3-ethyl-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCCc1nc2ncc(Br)cc2[nH]c1=O
InChIInChI=1S/C9H8BrN3O/c1-2-6-9(14)13-7-3-5(10)4-11-8(7)12-6/h3-4H,2H2,1H3,(H,13,14)
InChIKeyJJVLYKJFMBEFKB-UHFFFAOYSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methylsulfanyl]acetate
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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-ethyl-1H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 7-bromo-3-ethyl-1H-pyrido[2,3-b]pyrazin-2-one (CID 168984379) is 7-bromo-3-ethyl-1H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 7-bromo-3-ethyl-1H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 7-bromo-3-ethyl-1H-pyrido[2,3-b]pyrazin-2-one is CCc1nc2ncc(Br)cc2[nH]c1=O.
What is the InChIKey of 7-bromo-3-ethyl-1H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is JJVLYKJFMBEFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c1-2-6-9(14)13-7-3-5(10)4-11-8(7)12-6/h3-4H,2H2,1H3,(H,13,14).
What are the key properties of 7-bromo-3-ethyl-1H-pyrido[2,3-b]pyrazin-2-one?
7-bromo-3-ethyl-1H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 254.09 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-ethyl-1H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 168984379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).