1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid

C8H11F3N2O3 — CID 22482741

IUPAC1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1=CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2O.C2HF3O2/c7-6(9)5-1-3-8-4-2-5;3-2(4,5)1(6)7/h1,8H,2-4H2,(H2,7,9);(H,6,7)
InChIKeyKINOJQUGSRRYDO-UHFFFAOYSA-N
MW240.18 g/mol
LogP0.02
Rot. Bonds1

About 1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid

1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 22482741) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID22482741
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1=CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2O.C2HF3O2/c7-6(9)5-1-3-8-4-2-5;3-2(4,5)1(6)7/h1,8H,2-4H2,(H2,7,9);(H,6,7)
InChIKeyKINOJQUGSRRYDO-UHFFFAOYSA-N
XLogP0.02
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 22482741) is 1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)C1=CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KINOJQUGSRRYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C2HF3O2/c7-6(9)5-1-3-8-4-2-5;3-2(4,5)1(6)7/h1,8H,2-4H2,(H2,7,9);(H,6,7).
What are the key properties of 1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 240.18 g/mol, XLogP of 0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyridine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22482741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).