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

C7H4BrN3O — CID 57420218

IUPAC7-bromo-4H-pyrido[2,3-b]pyrazin-3-one
SMILESO=c1cnc2cc(Br)cnc2[nH]1
InChIInChI=1S/C7H4BrN3O/c8-4-1-5-7(10-2-4)11-6(12)3-9-5/h1-3H,(H,10,11,12)
InChIKeyWQVJNKVCXDEKDJ-UHFFFAOYSA-N
MW226.03 g/mol
LogP1.08
Rot. Bonds

About 7-bromo-4H-pyrido[2,3-b]pyrazin-3-one

7-bromo-4H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 57420218) has the molecular formula C7H4BrN3O and a molecular weight of 226.03 g/mol. Its IUPAC name is 7-bromo-4H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name7-bromo-4H-pyrido[2,3-b]pyrazin-3-one
PubChem CID57420218
Molecular FormulaC7H4BrN3O
Molecular Weight226.03 g/mol
Exact Mass224.95
IUPAC Name7-bromo-4H-pyrido[2,3-b]pyrazin-3-one
SMILESO=c1cnc2cc(Br)cnc2[nH]1
InChIInChI=1S/C7H4BrN3O/c8-4-1-5-7(10-2-4)11-6(12)3-9-5/h1-3H,(H,10,11,12)
InChIKeyWQVJNKVCXDEKDJ-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4H-pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 7-bromo-4H-pyrido[2,3-b]pyrazin-3-one (CID 57420218) is 7-bromo-4H-pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 7-bromo-4H-pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 7-bromo-4H-pyrido[2,3-b]pyrazin-3-one is O=c1cnc2cc(Br)cnc2[nH]1.
What is the InChIKey of 7-bromo-4H-pyrido[2,3-b]pyrazin-3-one?
The InChIKey is WQVJNKVCXDEKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O/c8-4-1-5-7(10-2-4)11-6(12)3-9-5/h1-3H,(H,10,11,12).
What are the key properties of 7-bromo-4H-pyrido[2,3-b]pyrazin-3-one?
7-bromo-4H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 226.03 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 57420218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).