6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid

C13H10N2O5 — CID 117212928

IUPAC6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid
SMILESCOc1ccccc1OC(=O)c1cncc(C(=O)O)n1
InChIInChI=1S/C13H10N2O5/c1-19-10-4-2-3-5-11(10)20-13(18)9-7-14-6-8(15-9)12(16)17/h2-7H,1H3,(H,16,17)
InChIKeyFXDGPIVNTPRASM-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.40
Rot. Bonds4

About 6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid

6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid (PubChem CID 117212928) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid
PubChem CID117212928
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid
SMILESCOc1ccccc1OC(=O)c1cncc(C(=O)O)n1
InChIInChI=1S/C13H10N2O5/c1-19-10-4-2-3-5-11(10)20-13(18)9-7-14-6-8(15-9)12(16)17/h2-7H,1H3,(H,16,17)
InChIKeyFXDGPIVNTPRASM-UHFFFAOYSA-N
XLogP1.40
TPSA98.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
CID 117218096
pyrazine-2,6-dicarboxylic acid
CID 11601391
6-(2-methylphenoxy)carbonylpyridine-2-carboxylic acid
CID 117212805
(2-methoxyphenyl) 2-aminopyrimidine-4-carboxylate
CID 117212800
6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid
CID 117212967
5-[(2-methoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 117213246
2-(2-methoxyphenoxy)-2-oxoacetic acid
CID 14886364
(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 1128700
5-(2-methoxyphenoxy)carbonyl-1,1-dioxo-1,2-thiazole-4-carboxylic acid
CID 117218755
(2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate
CID 8778526
5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid
CID 117214754
(2-methoxyphenyl) 2-methylpropanoate
CID 836904

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid?
The IUPAC name of 6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid (CID 117212928) is 6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid?
The canonical SMILES for 6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid is COc1ccccc1OC(=O)c1cncc(C(=O)O)n1.
What is the InChIKey of 6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid?
The InChIKey is FXDGPIVNTPRASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-19-10-4-2-3-5-11(10)20-13(18)9-7-14-6-8(15-9)12(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid?
6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid has a molecular weight of 274.23 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid is sourced from PubChem (CID 117212928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).