3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one

C11H9BrN2O2 — CID 114570737

IUPAC3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one
SMILESCc1cc(Br)ccc1Oc1ncc[nH]c1=O
InChIInChI=1S/C11H9BrN2O2/c1-7-6-8(12)2-3-9(7)16-11-10(15)13-4-5-14-11/h2-6H,1H3,(H,13,15)
InChIKeyWRLLRQOZJBNKBC-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.63
Rot. Bonds2

About 3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one

3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one (PubChem CID 114570737) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one
PubChem CID114570737
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one
SMILESCc1cc(Br)ccc1Oc1ncc[nH]c1=O
InChIInChI=1S/C11H9BrN2O2/c1-7-6-8(12)2-3-9(7)16-11-10(15)13-4-5-14-11/h2-6H,1H3,(H,13,15)
InChIKeyWRLLRQOZJBNKBC-UHFFFAOYSA-N
XLogP2.63
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoro-2-methylphenoxy)-1H-pyrazin-2-one
CID 103241890
3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid
CID 107672841
3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one
CID 114570862
3-(2-bromo-4-fluorophenoxy)-1H-pyrazin-2-one
CID 114570730
3-(2-fluoro-5-methylphenoxy)-1H-pyrazin-2-one
CID 103241750
3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one
CID 114570848
1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone
CID 114055671
3-(4-bromo-2-methylphenoxy)pyrazine-2-carbothioamide
CID 55161140
3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one
CID 114570741
3-(4-ethoxyphenoxy)-1H-pyrazin-2-one
CID 103240950
[6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80924994
1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391454

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one?
The IUPAC name of 3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one (CID 114570737) is 3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one is Cc1cc(Br)ccc1Oc1ncc[nH]c1=O.
What is the InChIKey of 3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one?
The InChIKey is WRLLRQOZJBNKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-7-6-8(12)2-3-9(7)16-11-10(15)13-4-5-14-11/h2-6H,1H3,(H,13,15).
What are the key properties of 3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one?
3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one has a molecular weight of 281.11 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one is sourced from PubChem (CID 114570737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).