8-(3-fluorophenoxy)-4H-pyrido[2,3-b]pyrazin-3-one

C13H8FN3O2 — CID 123225808

IUPAC8-(3-fluorophenoxy)-4H-pyrido[2,3-b]pyrazin-3-one
SMILESO=c1cnc2c(Oc3cccc(F)c3)ccnc2[nH]1
InChIInChI=1S/C13H8FN3O2/c14-8-2-1-3-9(6-8)19-10-4-5-15-13-12(10)16-7-11(18)17-13/h1-7H,(H,15,17,18)
InChIKeyAPHFQCLEOKMVKE-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.25
Rot. Bonds2

About 8-(3-fluorophenoxy)-4H-pyrido[2,3-b]pyrazin-3-one

8-(3-fluorophenoxy)-4H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 123225808) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is 8-(3-fluorophenoxy)-4H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-(3-fluorophenoxy)-4H-pyrido[2,3-b]pyrazin-3-one
PubChem CID123225808
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC Name8-(3-fluorophenoxy)-4H-pyrido[2,3-b]pyrazin-3-one
SMILESO=c1cnc2c(Oc3cccc(F)c3)ccnc2[nH]1
InChIInChI=1S/C13H8FN3O2/c14-8-2-1-3-9(6-8)19-10-4-5-15-13-12(10)16-7-11(18)17-13/h1-7H,(H,15,17,18)
InChIKeyAPHFQCLEOKMVKE-UHFFFAOYSA-N
XLogP2.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluorophenoxy)-4H-pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-(3-fluorophenoxy)-4H-pyrido[2,3-b]pyrazin-3-one (CID 123225808) is 8-(3-fluorophenoxy)-4H-pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-(3-fluorophenoxy)-4H-pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-(3-fluorophenoxy)-4H-pyrido[2,3-b]pyrazin-3-one is O=c1cnc2c(Oc3cccc(F)c3)ccnc2[nH]1.
What is the InChIKey of 8-(3-fluorophenoxy)-4H-pyrido[2,3-b]pyrazin-3-one?
The InChIKey is APHFQCLEOKMVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-8-2-1-3-9(6-8)19-10-4-5-15-13-12(10)16-7-11(18)17-13/h1-7H,(H,15,17,18).
What are the key properties of 8-(3-fluorophenoxy)-4H-pyrido[2,3-b]pyrazin-3-one?
8-(3-fluorophenoxy)-4H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 257.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluorophenoxy)-4H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 123225808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).