3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one

C12H12BrN3O2 — CID 133476976

IUPAC3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(Oc2ccc(C)nc2Br)c1=O
InChIInChI=1S/C12H12BrN3O2/c1-3-16-7-6-14-11(12(16)17)18-9-5-4-8(2)15-10(9)13/h4-7H,3H2,1-2H3
InChIKeyMTMNPLSMLVNEPH-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.52
Rot. Bonds3

About 3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one

3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one (PubChem CID 133476976) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one
PubChem CID133476976
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(Oc2ccc(C)nc2Br)c1=O
InChIInChI=1S/C12H12BrN3O2/c1-3-16-7-6-14-11(12(16)17)18-9-5-4-8(2)15-10(9)13/h4-7H,3H2,1-2H3
InChIKeyMTMNPLSMLVNEPH-UHFFFAOYSA-N
XLogP2.52
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one
CID 62929873
3-bromo-1-ethylpyrazin-2-one
CID 59085559
1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one
CID 133447202
4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid
CID 107672576
3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one
CID 113458315
3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one
CID 133447258
1-ethyl-3-methylpyrazin-2-one
CID 90291055
2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid
CID 62929919
2-bromo-3-methoxy-6-methylpyridine;ethane
CID 144796120
2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-5-chloropyrimidine
CID 133476901
3-(2-amino-3-methylphenoxy)-1-propylpyrazin-2-one
CID 55157571
3-(3-bromo-4-fluorophenoxy)-1-propylpyrazin-2-one
CID 83231253

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one (CID 133476976) is 3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one is CCn1ccnc(Oc2ccc(C)nc2Br)c1=O.
What is the InChIKey of 3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one?
The InChIKey is MTMNPLSMLVNEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-3-16-7-6-14-11(12(16)17)18-9-5-4-8(2)15-10(9)13/h4-7H,3H2,1-2H3.
What are the key properties of 3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one?
3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one has a molecular weight of 310.15 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one is sourced from PubChem (CID 133476976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).