2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid

C14H14N2O4 — CID 82488923

IUPAC2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid
SMILESCOc1ccc(OC)c(-c2nccnc2CC(=O)O)c1
InChIInChI=1S/C14H14N2O4/c1-19-9-3-4-12(20-2)10(7-9)14-11(8-13(17)18)15-5-6-16-14/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyGDUQWZFEMDRUIJ-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.79
Rot. Bonds5

About 2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid

2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid (PubChem CID 82488923) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid
PubChem CID82488923
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid
SMILESCOc1ccc(OC)c(-c2nccnc2CC(=O)O)c1
InChIInChI=1S/C14H14N2O4/c1-19-9-3-4-12(20-2)10(7-9)14-11(8-13(17)18)15-5-6-16-14/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyGDUQWZFEMDRUIJ-UHFFFAOYSA-N
XLogP1.79
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine
CID 82478923
2-[3-(4-methoxy-2,3-dimethylphenyl)pyrazin-2-yl]acetic acid
CID 82488510
2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302593
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 28806166
2-(3-methoxy-2-pyridinyl)acetic acid
CID 53411457
4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid
CID 82484332
2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid
CID 176513629
2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid
CID 82477709
2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid
CID 82302594
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
2-(2,5-dimethoxyphenyl)-4-methylpyridin-3-amine
CID 114051131
2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]acetic acid
CID 82121885

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid?
The IUPAC name of 2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid (CID 82488923) is 2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid?
The canonical SMILES for 2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid is COc1ccc(OC)c(-c2nccnc2CC(=O)O)c1.
What is the InChIKey of 2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid?
The InChIKey is GDUQWZFEMDRUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-19-9-3-4-12(20-2)10(7-9)14-11(8-13(17)18)15-5-6-16-14/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid?
2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid has a molecular weight of 274.28 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid is sourced from PubChem (CID 82488923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).