3-(2-bromo-4-fluorophenoxy)-1-methylpyrazin-2-one

C11H8BrFN2O2 — CID 55132914

IUPAC3-(2-bromo-4-fluorophenoxy)-1-methylpyrazin-2-one
SMILESCn1ccnc(Oc2ccc(F)cc2Br)c1=O
InChIInChI=1S/C11H8BrFN2O2/c1-15-5-4-14-10(11(15)16)17-9-3-2-7(13)6-8(9)12/h2-6H,1H3
InChIKeyHPGPJVXWQHTMGD-UHFFFAOYSA-N
MW299.10 g/mol
LogP2.47
Rot. Bonds2

About 3-(2-bromo-4-fluorophenoxy)-1-methylpyrazin-2-one

3-(2-bromo-4-fluorophenoxy)-1-methylpyrazin-2-one (PubChem CID 55132914) has the molecular formula C11H8BrFN2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenoxy)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenoxy)-1-methylpyrazin-2-one
PubChem CID55132914
Molecular FormulaC11H8BrFN2O2
Molecular Weight299.10 g/mol
Exact Mass297.98
IUPAC Name3-(2-bromo-4-fluorophenoxy)-1-methylpyrazin-2-one
SMILESCn1ccnc(Oc2ccc(F)cc2Br)c1=O
InChIInChI=1S/C11H8BrFN2O2/c1-15-5-4-14-10(11(15)16)17-9-3-2-7(13)6-8(9)12/h2-6H,1H3
InChIKeyHPGPJVXWQHTMGD-UHFFFAOYSA-N
XLogP2.47
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenoxy)-1-methylpyrazin-2-one?
The IUPAC name of 3-(2-bromo-4-fluorophenoxy)-1-methylpyrazin-2-one (CID 55132914) is 3-(2-bromo-4-fluorophenoxy)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(2-bromo-4-fluorophenoxy)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(2-bromo-4-fluorophenoxy)-1-methylpyrazin-2-one is Cn1ccnc(Oc2ccc(F)cc2Br)c1=O.
What is the InChIKey of 3-(2-bromo-4-fluorophenoxy)-1-methylpyrazin-2-one?
The InChIKey is HPGPJVXWQHTMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2/c1-15-5-4-14-10(11(15)16)17-9-3-2-7(13)6-8(9)12/h2-6H,1H3.
What are the key properties of 3-(2-bromo-4-fluorophenoxy)-1-methylpyrazin-2-one?
3-(2-bromo-4-fluorophenoxy)-1-methylpyrazin-2-one has a molecular weight of 299.10 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenoxy)-1-methylpyrazin-2-one is sourced from PubChem (CID 55132914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).