2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone

C13H11ClN2O3 — CID 105126893

IUPAC2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone
SMILESCOc1nccnc1C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O3/c1-18-13-12(15-5-6-16-13)11(17)8-19-10-4-2-3-9(14)7-10/h2-7H,8H2,1H3
InChIKeyICYRRCVKKCKXJQ-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.40
Rot. Bonds5

About 2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone

2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone (PubChem CID 105126893) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone
PubChem CID105126893
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone
SMILESCOc1nccnc1C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O3/c1-18-13-12(15-5-6-16-13)11(17)8-19-10-4-2-3-9(14)7-10/h2-7H,8H2,1H3
InChIKeyICYRRCVKKCKXJQ-UHFFFAOYSA-N
XLogP2.40
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514846
1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone
CID 105113829
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanone
CID 60975454
2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone
CID 113421495
2-(3-chlorophenoxy)-1-thiophen-2-ylethanone
CID 60625787
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662425
lithium 2-(3-chlorophenoxy)acetate
CID 19205694
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone
CID 105095876
1-(3-chlorophenoxy)-3-ethoxypropan-2-one
CID 114553807
phenyl 2-(3-chlorophenoxy)acetate
CID 19179107

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone?
The IUPAC name of 2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone (CID 105126893) is 2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone is COc1nccnc1C(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone?
The InChIKey is ICYRRCVKKCKXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-18-13-12(15-5-6-16-13)11(17)8-19-10-4-2-3-9(14)7-10/h2-7H,8H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone?
2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone has a molecular weight of 278.70 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethanone is sourced from PubChem (CID 105126893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).