6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboxylic acid

C12H14F3N3O2 — CID 62968783

IUPAC6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)8-17-4-6-18(7-5-17)10-3-1-2-9(16-10)11(19)20/h1-3H,4-8H2,(H,19,20)
InChIKeyMBMBHDKBWIKVBP-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.46
Rot. Bonds3

About 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboxylic acid

6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 62968783) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID62968783
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)8-17-4-6-18(7-5-17)10-3-1-2-9(16-10)11(19)20/h1-3H,4-8H2,(H,19,20)
InChIKeyMBMBHDKBWIKVBP-UHFFFAOYSA-N
XLogP1.46
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboxylic acid (CID 62968783) is 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is MBMBHDKBWIKVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)8-17-4-6-18(7-5-17)10-3-1-2-9(16-10)11(19)20/h1-3H,4-8H2,(H,19,20).
What are the key properties of 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboxylic acid?
6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 289.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 62968783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).