5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid

C14H13F3N4O3 — CID 122055040

IUPAC5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCCc2ccc(OCC(F)(F)F)nc2)cn1
InChIInChI=1S/C14H13F3N4O3/c15-14(16,17)8-24-12-2-1-9(5-21-12)3-4-18-11-7-19-10(6-20-11)13(22)23/h1-2,5-7H,3-4,8H2,(H,18,20)(H,22,23)
InChIKeyNAYXWKQOEUIDLL-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.17
Rot. Bonds7

About 5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid

5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid (PubChem CID 122055040) has the molecular formula C14H13F3N4O3 and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid
PubChem CID122055040
Molecular FormulaC14H13F3N4O3
Molecular Weight342.28 g/mol
Exact Mass342.09
IUPAC Name5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCCc2ccc(OCC(F)(F)F)nc2)cn1
InChIInChI=1S/C14H13F3N4O3/c15-14(16,17)8-24-12-2-1-9(5-21-12)3-4-18-11-7-19-10(6-20-11)13(22)23/h1-2,5-7H,3-4,8H2,(H,18,20)(H,22,23)
InChIKeyNAYXWKQOEUIDLL-UHFFFAOYSA-N
XLogP2.17
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid (CID 122055040) is 5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCCc2ccc(OCC(F)(F)F)nc2)cn1.
What is the InChIKey of 5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is NAYXWKQOEUIDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O3/c15-14(16,17)8-24-12-2-1-9(5-21-12)3-4-18-11-7-19-10(6-20-11)13(22)23/h1-2,5-7H,3-4,8H2,(H,18,20)(H,22,23).
What are the key properties of 5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid?
5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 342.28 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122055040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).