3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid

C9H12N2O4 — CID 62701891

IUPAC3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid
SMILESCCOCCOc1nccnc1C(=O)O
InChIInChI=1S/C9H12N2O4/c1-2-14-5-6-15-8-7(9(12)13)10-3-4-11-8/h3-4H,2,5-6H2,1H3,(H,12,13)
InChIKeyPUGVAYWGDBHOCE-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.59
Rot. Bonds6

About 3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid

3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid (PubChem CID 62701891) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid
PubChem CID62701891
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid
SMILESCCOCCOc1nccnc1C(=O)O
InChIInChI=1S/C9H12N2O4/c1-2-14-5-6-15-8-7(9(12)13)10-3-4-11-8/h3-4H,2,5-6H2,1H3,(H,12,13)
InChIKeyPUGVAYWGDBHOCE-UHFFFAOYSA-N
XLogP0.59
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylic acid
CID 106450331
3-[bis(2-ethoxyethyl)amino]pyrazine-2-carboxylic acid
CID 82960478
3-methoxypyrazine-2-carboxylic acid
CID 22395692
2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615728
methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate
CID 141103984
4-(2-ethoxyethoxy)imidazo[1,5-a]quinoxaline-3-carboxylic acid
CID 18007096
4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid
CID 63263409
3-(2-butoxyethoxy)pyridine-2-carboxylic acid
CID 54958022
3-octan-2-yloxypyrazine-2-carboxylic acid
CID 55107810
3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carbothioamide
CID 103402515
methyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate
CID 118273108
3-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid
CID 62701536

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid (CID 62701891) is 3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid is CCOCCOc1nccnc1C(=O)O.
What is the InChIKey of 3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid?
The InChIKey is PUGVAYWGDBHOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-2-14-5-6-15-8-7(9(12)13)10-3-4-11-8/h3-4H,2,5-6H2,1H3,(H,12,13).
What are the key properties of 3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid?
3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid has a molecular weight of 212.21 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62701891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).