5-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide

C8H5F3N2O2 — CID 25023823

IUPAC5-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)C(F)(F)F)cn1
InChIInChI=1S/C8H5F3N2O2/c9-8(10,11)6(14)4-1-2-5(7(12)15)13-3-4/h1-3H,(H2,12,15)
InChIKeyYPVSHEOWKRJZHJ-UHFFFAOYSA-N
MW218.13 g/mol
LogP0.93
Rot. Bonds2

About 5-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide

5-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide (PubChem CID 25023823) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide
PubChem CID25023823
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name5-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)C(F)(F)F)cn1
InChIInChI=1S/C8H5F3N2O2/c9-8(10,11)6(14)4-1-2-5(7(12)15)13-3-4/h1-3H,(H2,12,15)
InChIKeyYPVSHEOWKRJZHJ-UHFFFAOYSA-N
XLogP0.93
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide (CID 25023823) is 5-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide is NC(=O)c1ccc(C(=O)C(F)(F)F)cn1.
What is the InChIKey of 5-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide?
The InChIKey is YPVSHEOWKRJZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2/c9-8(10,11)6(14)4-1-2-5(7(12)15)13-3-4/h1-3H,(H2,12,15).
What are the key properties of 5-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide?
5-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide has a molecular weight of 218.13 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide is sourced from PubChem (CID 25023823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).