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

C18H12F3N3O4 — CID 68797946

IUPAC5-(pyridin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OCc2ccccn2)c(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C18H12F3N3O4/c19-18(20,21)28-13-6-4-11(5-7-13)15-16(23-9-14(24-15)17(25)26)27-10-12-3-1-2-8-22-12/h1-9H,10H2,(H,25,26)
InChIKeyFYKBRPPKUYIDQC-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.71
Rot. Bonds6

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

5-(pyridin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid (PubChem CID 68797946) has the molecular formula C18H12F3N3O4 and a molecular weight of 391.31 g/mol. Its IUPAC name is 5-(pyridin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(pyridin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
PubChem CID68797946
Molecular FormulaC18H12F3N3O4
Molecular Weight391.31 g/mol
Exact Mass391.08
IUPAC Name5-(pyridin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OCc2ccccn2)c(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C18H12F3N3O4/c19-18(20,21)28-13-6-4-11(5-7-13)15-16(23-9-14(24-15)17(25)26)27-10-12-3-1-2-8-22-12/h1-9H,10H2,(H,25,26)
InChIKeyFYKBRPPKUYIDQC-UHFFFAOYSA-N
XLogP3.71
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-(pyridin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid (CID 68797946) is 5-(pyridin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(pyridin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(pyridin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(OCc2ccccn2)c(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 5-(pyridin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
The InChIKey is FYKBRPPKUYIDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O4/c19-18(20,21)28-13-6-4-11(5-7-13)15-16(23-9-14(24-15)17(25)26)27-10-12-3-1-2-8-22-12/h1-9H,10H2,(H,25,26).
What are the key properties of 5-(pyridin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid?
5-(pyridin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid has a molecular weight of 391.31 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 68797946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).