6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxylic acid

C17H12FN3O3 — CID 68800724

IUPAC6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OCc2ccccn2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H12FN3O3/c18-12-6-4-11(5-7-12)15-16(20-9-14(21-15)17(22)23)24-10-13-3-1-2-8-19-13/h1-9H,10H2,(H,22,23)
InChIKeyJABYKPMILWCUFR-UHFFFAOYSA-N
MW325.30 g/mol
LogP2.95
Rot. Bonds5

About 6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxylic acid

6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxylic acid (PubChem CID 68800724) has the molecular formula C17H12FN3O3 and a molecular weight of 325.30 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxylic acid
PubChem CID68800724
Molecular FormulaC17H12FN3O3
Molecular Weight325.30 g/mol
Exact Mass325.09
IUPAC Name6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OCc2ccccn2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H12FN3O3/c18-12-6-4-11(5-7-12)15-16(20-9-14(21-15)17(22)23)24-10-13-3-1-2-8-19-13/h1-9H,10H2,(H,22,23)
InChIKeyJABYKPMILWCUFR-UHFFFAOYSA-N
XLogP2.95
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxylic acid (CID 68800724) is 6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxylic acid is O=C(O)c1cnc(OCc2ccccn2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxylic acid?
The InChIKey is JABYKPMILWCUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O3/c18-12-6-4-11(5-7-12)15-16(20-9-14(21-15)17(22)23)24-10-13-3-1-2-8-19-13/h1-9H,10H2,(H,22,23).
What are the key properties of 6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxylic acid?
6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxylic acid has a molecular weight of 325.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 68800724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).