5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxylic acid

C11H12F3N3O3 — CID 162444957

IUPAC5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(OC(F)(F)F)CC2)cn1
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)20-7-1-3-17(4-2-7)9-6-15-8(5-16-9)10(18)19/h5-7H,1-4H2,(H,18,19)
InChIKeyIRXZZSRBDSNGFO-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.68
Rot. Bonds3

About 5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxylic acid

5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 162444957) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID162444957
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC Name5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(OC(F)(F)F)CC2)cn1
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)20-7-1-3-17(4-2-7)9-6-15-8(5-16-9)10(18)19/h5-7H,1-4H2,(H,18,19)
InChIKeyIRXZZSRBDSNGFO-UHFFFAOYSA-N
XLogP1.68
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxylic acid (CID 162444957) is 5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCC(OC(F)(F)F)CC2)cn1.
What is the InChIKey of 5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is IRXZZSRBDSNGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c12-11(13,14)20-7-1-3-17(4-2-7)9-6-15-8(5-16-9)10(18)19/h5-7H,1-4H2,(H,18,19).
What are the key properties of 5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 291.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 162444957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).