5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid

C15H13F3N2O5 — CID 68798403

IUPAC5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
SMILESCOCCOc1ncc(C(=O)O)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O5/c1-23-6-7-24-13-12(20-11(8-19-13)14(21)22)9-2-4-10(5-3-9)25-15(16,17)18/h2-5,8H,6-7H2,1H3,(H,21,22)
InChIKeyKJEOTLFXAMHSSL-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.77
Rot. Bonds7

About 5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid

5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid (PubChem CID 68798403) has the molecular formula C15H13F3N2O5 and a molecular weight of 358.27 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
PubChem CID68798403
Molecular FormulaC15H13F3N2O5
Molecular Weight358.27 g/mol
Exact Mass358.08
IUPAC Name5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
SMILESCOCCOc1ncc(C(=O)O)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O5/c1-23-6-7-24-13-12(20-11(8-19-13)14(21)22)9-2-4-10(5-3-9)25-15(16,17)18/h2-5,8H,6-7H2,1H3,(H,21,22)
InChIKeyKJEOTLFXAMHSSL-UHFFFAOYSA-N
XLogP2.77
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid (CID 68798403) is 5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid is COCCOc1ncc(C(=O)O)nc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
The InChIKey is KJEOTLFXAMHSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O5/c1-23-6-7-24-13-12(20-11(8-19-13)14(21)22)9-2-4-10(5-3-9)25-15(16,17)18/h2-5,8H,6-7H2,1H3,(H,21,22).
What are the key properties of 5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid has a molecular weight of 358.27 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 68798403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).