2,2,2-trifluoro-N-pyridin-3-ylacetamide

C7H5F3N2O — CID 605298

IUPAC2,2,2-trifluoro-N-pyridin-3-ylacetamide
SMILESO=C(Nc1cccnc1)C(F)(F)F
InChIInChI=1S/C7H5F3N2O/c8-7(9,10)6(13)12-5-2-1-3-11-4-5/h1-4H,(H,12,13)
InChIKeyKNGWJNVUCYDZJE-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.58
Rot. Bonds1

About 2,2,2-trifluoro-N-pyridin-3-ylacetamide

2,2,2-trifluoro-N-pyridin-3-ylacetamide (PubChem CID 605298) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-pyridin-3-ylacetamide
PubChem CID605298
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC Name2,2,2-trifluoro-N-pyridin-3-ylacetamide
SMILESO=C(Nc1cccnc1)C(F)(F)F
InChIInChI=1S/C7H5F3N2O/c8-7(9,10)6(13)12-5-2-1-3-11-4-5/h1-4H,(H,12,13)
InChIKeyKNGWJNVUCYDZJE-UHFFFAOYSA-N
XLogP1.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-pyridin-3-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-pyridin-3-ylacetamide (CID 605298) is 2,2,2-trifluoro-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-pyridin-3-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-pyridin-3-ylacetamide is O=C(Nc1cccnc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-pyridin-3-ylacetamide?
The InChIKey is KNGWJNVUCYDZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c8-7(9,10)6(13)12-5-2-1-3-11-4-5/h1-4H,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-pyridin-3-ylacetamide?
2,2,2-trifluoro-N-pyridin-3-ylacetamide has a molecular weight of 190.12 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-pyridin-3-ylacetamide is sourced from PubChem (CID 605298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).