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

C17H11F3N4O4 — CID 68798509

IUPAC5-(pyrazin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OCc2cnccn2)c(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C17H11F3N4O4/c18-17(19,20)28-12-3-1-10(2-4-12)14-15(23-8-13(24-14)16(25)26)27-9-11-7-21-5-6-22-11/h1-8H,9H2,(H,25,26)
InChIKeyBWDMLDMLZSRCTH-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.11
Rot. Bonds6

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

5-(pyrazin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid (PubChem CID 68798509) has the molecular formula C17H11F3N4O4 and a molecular weight of 392.29 g/mol. Its IUPAC name is 5-(pyrazin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(pyrazin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
PubChem CID68798509
Molecular FormulaC17H11F3N4O4
Molecular Weight392.29 g/mol
Exact Mass392.07
IUPAC Name5-(pyrazin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OCc2cnccn2)c(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C17H11F3N4O4/c18-17(19,20)28-12-3-1-10(2-4-12)14-15(23-8-13(24-14)16(25)26)27-9-11-7-21-5-6-22-11/h1-8H,9H2,(H,25,26)
InChIKeyBWDMLDMLZSRCTH-UHFFFAOYSA-N
XLogP3.11
TPSA107.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrazin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-(pyrazin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid (CID 68798509) is 5-(pyrazin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(pyrazin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(pyrazin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(OCc2cnccn2)c(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 5-(pyrazin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
The InChIKey is BWDMLDMLZSRCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O4/c18-17(19,20)28-12-3-1-10(2-4-12)14-15(23-8-13(24-14)16(25)26)27-9-11-7-21-5-6-22-11/h1-8H,9H2,(H,25,26).
What are the key properties of 5-(pyrazin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
5-(pyrazin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid has a molecular weight of 392.29 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrazin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 68798509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).