3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one

C12H10Cl2N2O2 — CID 13062966

IUPAC3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one
SMILESCOc1cccc(-c2c(Cl)nc(Cl)c(=O)n2C)c1
InChIInChI=1S/C12H10Cl2N2O2/c1-16-9(10(13)15-11(14)12(16)17)7-4-3-5-8(6-7)18-2/h3-6H,1-2H3
InChIKeyXDBYDALJMIAWKY-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.76
Rot. Bonds2

About 3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one

3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one (PubChem CID 13062966) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one
PubChem CID13062966
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one
SMILESCOc1cccc(-c2c(Cl)nc(Cl)c(=O)n2C)c1
InChIInChI=1S/C12H10Cl2N2O2/c1-16-9(10(13)15-11(14)12(16)17)7-4-3-5-8(6-7)18-2/h3-6H,1-2H3
InChIKeyXDBYDALJMIAWKY-UHFFFAOYSA-N
XLogP2.76
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
CID 80550230
3-(aminomethyl)-6-(3-methoxyphenyl)-1-methylpyridin-2-one
CID 82189410
2-chloro-3-(3-methoxyphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 67201173
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-[4-bromo-5-(3-methoxyphenyl)-1-methylimidazol-2-yl]propanoic acid
CID 84611921
5-(3-methoxyphenyl)-1-methyl-2-methylsulfonylimidazole-4-carboxylic acid
CID 117224865
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine
CID 82169427
[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine
CID 82207885
3-(chloromethyl)-5-(3-methoxyphenyl)-1-methylpyrazole
CID 82129617
3-[6-(3-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoic acid
CID 82444203

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one?
The IUPAC name of 3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one (CID 13062966) is 3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one.
What is the SMILES notation for 3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one?
The canonical SMILES for 3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one is COc1cccc(-c2c(Cl)nc(Cl)c(=O)n2C)c1.
What is the InChIKey of 3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one?
The InChIKey is XDBYDALJMIAWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-16-9(10(13)15-11(14)12(16)17)7-4-3-5-8(6-7)18-2/h3-6H,1-2H3.
What are the key properties of 3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one?
3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one has a molecular weight of 285.13 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(3-methoxyphenyl)-1-methylpyrazin-2-one is sourced from PubChem (CID 13062966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).