3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid

C13H12N2O5 — CID 62701536

IUPAC3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid
SMILESCOc1cc(OC)cc(Oc2nccnc2C(=O)O)c1
InChIInChI=1S/C13H12N2O5/c1-18-8-5-9(19-2)7-10(6-8)20-12-11(13(16)17)14-3-4-15-12/h3-7H,1-2H3,(H,16,17)
InChIKeyJIVKJVOVRZXRCF-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.98
Rot. Bonds5

About 3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid

3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid (PubChem CID 62701536) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid
PubChem CID62701536
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid
SMILESCOc1cc(OC)cc(Oc2nccnc2C(=O)O)c1
InChIInChI=1S/C13H12N2O5/c1-18-8-5-9(19-2)7-10(6-8)20-12-11(13(16)17)14-3-4-15-12/h3-7H,1-2H3,(H,16,17)
InChIKeyJIVKJVOVRZXRCF-UHFFFAOYSA-N
XLogP1.98
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxypyrazine-2-carboxylic acid
CID 22395692
3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic acid
CID 62701378
3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid
CID 81326017
3-(2,3,5-trimethylphenoxy)pyrazine-2-carboxylic acid
CID 55107953
3-(4-butylphenoxy)pyrazine-2-carboxylic acid
CID 115493465
3-(4-tert-butyl-2-methylphenoxy)pyrazine-2-carboxylic acid
CID 62701066
5-bromo-7-methoxyisoquinoline-1-carboxylic acid
CID 125426673
2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid
CID 107554624
3-(4-methoxyphenoxy)pyrazine-2-carbothioamide
CID 55102710
3-(2-tert-butyl-4-methylphenoxy)pyrazine-2-carboxylic acid
CID 62702582
3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid
CID 63681353
3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid
CID 105379912

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid (CID 62701536) is 3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid is COc1cc(OC)cc(Oc2nccnc2C(=O)O)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid?
The InChIKey is JIVKJVOVRZXRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-18-8-5-9(19-2)7-10(6-8)20-12-11(13(16)17)14-3-4-15-12/h3-7H,1-2H3,(H,16,17).
What are the key properties of 3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid?
3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid has a molecular weight of 276.25 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62701536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).