ethyl 2-(3-methoxypyrazin-2-yl)acetate

C9H12N2O3 — CID 112692734

IUPACethyl 2-(3-methoxypyrazin-2-yl)acetate
SMILESCCOC(=O)Cc1nccnc1OC
InChIInChI=1S/C9H12N2O3/c1-3-14-8(12)6-7-9(13-2)11-5-4-10-7/h4-5H,3,6H2,1-2H3
InChIKeyKMDDXLYSIHPAGP-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.59
Rot. Bonds4

About ethyl 2-(3-methoxypyrazin-2-yl)acetate

ethyl 2-(3-methoxypyrazin-2-yl)acetate (PubChem CID 112692734) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl 2-(3-methoxypyrazin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methoxypyrazin-2-yl)acetate
PubChem CID112692734
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Nameethyl 2-(3-methoxypyrazin-2-yl)acetate
SMILESCCOC(=O)Cc1nccnc1OC
InChIInChI=1S/C9H12N2O3/c1-3-14-8(12)6-7-9(13-2)11-5-4-10-7/h4-5H,3,6H2,1-2H3
InChIKeyKMDDXLYSIHPAGP-UHFFFAOYSA-N
XLogP0.59
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(3-methoxypyrazin-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(3-fluoro-4-methyl-2-pyridinyl)acetate
CID 133096616
ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate
CID 5314331
ethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate
CID 133097500
ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate
CID 133103446
ethyl 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133098254
ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate
CID 141212885
ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 171028667
ethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate
CID 133103507
ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate
CID 174212115
ethyl 2-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 133090947
2-decyl-3-methoxypyrazine
CID 528301
ethyl 2-(2-amino-5-methoxy-3-pyridinyl)acetate
CID 170599003

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methoxypyrazin-2-yl)acetate?
The IUPAC name of ethyl 2-(3-methoxypyrazin-2-yl)acetate (CID 112692734) is ethyl 2-(3-methoxypyrazin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methoxypyrazin-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-methoxypyrazin-2-yl)acetate is CCOC(=O)Cc1nccnc1OC.
What is the InChIKey of ethyl 2-(3-methoxypyrazin-2-yl)acetate?
The InChIKey is KMDDXLYSIHPAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-14-8(12)6-7-9(13-2)11-5-4-10-7/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(3-methoxypyrazin-2-yl)acetate?
ethyl 2-(3-methoxypyrazin-2-yl)acetate has a molecular weight of 196.21 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methoxypyrazin-2-yl)acetate is sourced from PubChem (CID 112692734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).