benzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate

C14H12Cl2N2O3 — CID 10663926

IUPACbenzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate
SMILESCc1c(Cl)nc(Cl)c(=O)n1CC(=O)OCc1ccccc1
InChIInChI=1S/C14H12Cl2N2O3/c1-9-12(15)17-13(16)14(20)18(9)7-11(19)21-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyVTRSQUIXGXUANF-UHFFFAOYSA-N
MW327.17 g/mol
LogP2.60
Rot. Bonds4

About benzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate

benzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate (PubChem CID 10663926) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is benzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate
PubChem CID10663926
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Namebenzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate
SMILESCc1c(Cl)nc(Cl)c(=O)n1CC(=O)OCc1ccccc1
InChIInChI=1S/C14H12Cl2N2O3/c1-9-12(15)17-13(16)14(20)18(9)7-11(19)21-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyVTRSQUIXGXUANF-UHFFFAOYSA-N
XLogP2.60
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[3-chloro-2-methyl-6-oxo-5-(1-phenylethylamino)pyrazin-1-yl]acetate
CID 57241169
benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate
CID 54269425
benzyl 2-[3,5-dichloro-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetate
CID 11079983
benzyl 2-[3,5-dichloro-2-(3-chlorophenyl)-6-oxopyrazin-1-yl]acetate
CID 11015392
benzyl 2-[3-chloro-5-[[1-(dimethylamino)-2-phenylpropyl]amino]-2-methyl-6-oxopyrazin-1-yl]acetate
CID 18470849
benzyl 2-[3,5-dichloro-2-[3-(methylamino)phenyl]-6-oxopyrazin-1-yl]acetate
CID 10895027
benzyl 2-[3-chloro-5-[(1-cyclopentylpyrrolidin-1-ium-1-yl)methylamino]-2-methyl-6-oxopyrazin-1-yl]acetate
CID 18470942
benzyl 2-[3,5-dichloro-2-[3-(methanesulfonamido)phenyl]-6-oxopyrazin-1-yl]acetate
CID 10983695
benzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate
CID 59900608
benzyl 2-[5-chloro-3-(ethylamino)-2-oxo-6-phenylpyrazin-1-yl]acetate
CID 11143781
benzyl 2-[3-chloro-2-(4-chlorophenyl)-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetate
CID 11060264
benzyl 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 979446

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate?
The IUPAC name of benzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate (CID 10663926) is benzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate.
What is the SMILES notation for benzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate?
The canonical SMILES for benzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate is Cc1c(Cl)nc(Cl)c(=O)n1CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate?
The InChIKey is VTRSQUIXGXUANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-9-12(15)17-13(16)14(20)18(9)7-11(19)21-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3.
What are the key properties of benzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate?
benzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate has a molecular weight of 327.17 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate is sourced from PubChem (CID 10663926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).