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

C16H14F3N3O3 — CID 122050969

IUPAC5-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)cn1
InChIInChI=1S/C16H14F3N3O3/c17-16(18,19)11-3-1-10(2-4-11)13-9-22(5-6-25-13)14-8-20-12(7-21-14)15(23)24/h1-4,7-8,13H,5-6,9H2,(H,23,24)
InChIKeyBUORGESHSJFNJM-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.77
Rot. Bonds3

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

5-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazine-2-carboxylic acid (PubChem CID 122050969) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is 5-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazine-2-carboxylic acid
PubChem CID122050969
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC Name5-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)cn1
InChIInChI=1S/C16H14F3N3O3/c17-16(18,19)11-3-1-10(2-4-11)13-9-22(5-6-25-13)14-8-20-12(7-21-14)15(23)24/h1-4,7-8,13H,5-6,9H2,(H,23,24)
InChIKeyBUORGESHSJFNJM-UHFFFAOYSA-N
XLogP2.77
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazine-2-carboxylic acid (CID 122050969) is 5-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)cn1.
What is the InChIKey of 5-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazine-2-carboxylic acid?
The InChIKey is BUORGESHSJFNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c17-16(18,19)11-3-1-10(2-4-11)13-9-22(5-6-25-13)14-8-20-12(7-21-14)15(23)24/h1-4,7-8,13H,5-6,9H2,(H,23,24).
What are the key properties of 5-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazine-2-carboxylic acid?
5-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazine-2-carboxylic acid has a molecular weight of 353.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122050969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).