3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one

C10H6BrFN2O2 — CID 114570741

IUPAC3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C10H6BrFN2O2/c11-6-3-7(12)5-8(4-6)16-10-9(15)13-1-2-14-10/h1-5H,(H,13,15)
InChIKeyLIFVCBUTQLTKLZ-UHFFFAOYSA-N
MW285.07 g/mol
LogP2.46
Rot. Bonds2

About 3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one

3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one (PubChem CID 114570741) has the molecular formula C10H6BrFN2O2 and a molecular weight of 285.07 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one
PubChem CID114570741
Molecular FormulaC10H6BrFN2O2
Molecular Weight285.07 g/mol
Exact Mass283.96
IUPAC Name3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C10H6BrFN2O2/c11-6-3-7(12)5-8(4-6)16-10-9(15)13-1-2-14-10/h1-5H,(H,13,15)
InChIKeyLIFVCBUTQLTKLZ-UHFFFAOYSA-N
XLogP2.46
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.07
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenoxy)-1H-pyrazin-2-one
CID 103241140
4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114574406
3-(2-bromo-4-fluorophenoxy)-1H-pyrazin-2-one
CID 114570730
3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile
CID 81332179
3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid
CID 81326017
3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one
CID 114570857
3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine
CID 106875367
2-(3-bromo-5-fluorophenoxy)pyridin-3-amine
CID 81322525
3-(4-fluoro-2-methylphenoxy)-1H-pyrazin-2-one
CID 103241890
3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one
CID 114570737
5-bromo-1-(3-bromo-5-fluorophenoxy)isoquinoline
CID 106536992
3-(4-ethoxyphenoxy)-1H-pyrazin-2-one
CID 103240950

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one?
The IUPAC name of 3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one (CID 114570741) is 3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one?
The canonical SMILES for 3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one is O=c1[nH]ccnc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one?
The InChIKey is LIFVCBUTQLTKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O2/c11-6-3-7(12)5-8(4-6)16-10-9(15)13-1-2-14-10/h1-5H,(H,13,15).
What are the key properties of 3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one?
3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one has a molecular weight of 285.07 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one is sourced from PubChem (CID 114570741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).