7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one

C9H8BrN3O — CID 177233940

IUPAC7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1nc2cc(Br)c(=O)[nH]c2nc1C
InChIInChI=1S/C9H8BrN3O/c1-4-5(2)12-8-7(11-4)3-6(10)9(14)13-8/h3H,1-2H3,(H,12,13,14)
InChIKeyFYIIJJQGLFRZJB-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.70
Rot. Bonds

About 7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one

7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 177233940) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is 7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID177233940
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1nc2cc(Br)c(=O)[nH]c2nc1C
InChIInChI=1S/C9H8BrN3O/c1-4-5(2)12-8-7(11-4)3-6(10)9(14)13-8/h3H,1-2H3,(H,12,13,14)
InChIKeyFYIIJJQGLFRZJB-UHFFFAOYSA-N
XLogP1.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one (CID 177233940) is 7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one is Cc1nc2cc(Br)c(=O)[nH]c2nc1C.
What is the InChIKey of 7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is FYIIJJQGLFRZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c1-4-5(2)12-8-7(11-4)3-6(10)9(14)13-8/h3H,1-2H3,(H,12,13,14).
What are the key properties of 7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one?
7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 254.09 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,3-dimethyl-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 177233940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).