5-[2-(4-fluorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid

C15H14FN3O3 — CID 122047532

IUPAC5-[2-(4-fluorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOC(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C15H14FN3O3/c16-11-3-1-10(2-4-11)13-9-19(5-6-22-13)14-8-17-12(7-18-14)15(20)21/h1-4,7-8,13H,5-6,9H2,(H,20,21)
InChIKeySTFLXPMGJAQXTG-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.89
Rot. Bonds3

About 5-[2-(4-fluorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid

5-[2-(4-fluorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid (PubChem CID 122047532) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid
PubChem CID122047532
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name5-[2-(4-fluorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOC(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C15H14FN3O3/c16-11-3-1-10(2-4-11)13-9-19(5-6-22-13)14-8-17-12(7-18-14)15(20)21/h1-4,7-8,13H,5-6,9H2,(H,20,21)
InChIKeySTFLXPMGJAQXTG-UHFFFAOYSA-N
XLogP1.89
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(4-fluorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid (CID 122047532) is 5-[2-(4-fluorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(4-fluorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(4-fluorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCOC(c3ccc(F)cc3)C2)cn1.
What is the InChIKey of 5-[2-(4-fluorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The InChIKey is STFLXPMGJAQXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-11-3-1-10(2-4-11)13-9-19(5-6-22-13)14-8-17-12(7-18-14)15(20)21/h1-4,7-8,13H,5-6,9H2,(H,20,21).
What are the key properties of 5-[2-(4-fluorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
5-[2-(4-fluorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid has a molecular weight of 303.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122047532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).