6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid

C11H12F3N3O2 — CID 66449183

IUPAC6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-1-3-17(4-2-7)9-6-15-5-8(16-9)10(18)19/h5-7H,1-4H2,(H,18,19)
InChIKeyIDBHDRYEWWSAOO-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.95
Rot. Bonds2

About 6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid

6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 66449183) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID66449183
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-1-3-17(4-2-7)9-6-15-5-8(16-9)10(18)19/h5-7H,1-4H2,(H,18,19)
InChIKeyIDBHDRYEWWSAOO-UHFFFAOYSA-N
XLogP1.95
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid (CID 66449183) is 6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cncc(N2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is IDBHDRYEWWSAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)7-1-3-17(4-2-7)9-6-15-5-8(16-9)10(18)19/h5-7H,1-4H2,(H,18,19).
What are the key properties of 6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid?
6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 275.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66449183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).