N-(2,5,6-trifluoro-3-pyridinyl)acetamide

C7H5F3N2O — CID 164588804

IUPACN-(2,5,6-trifluoro-3-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(F)c(F)nc1F
InChIInChI=1S/C7H5F3N2O/c1-3(13)11-5-2-4(8)6(9)12-7(5)10/h2H,1H3,(H,11,13)
InChIKeyBQIPNCPSIAALOC-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.46
Rot. Bonds1

About N-(2,5,6-trifluoro-3-pyridinyl)acetamide

N-(2,5,6-trifluoro-3-pyridinyl)acetamide (PubChem CID 164588804) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is N-(2,5,6-trifluoro-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2,5,6-trifluoro-3-pyridinyl)acetamide
PubChem CID164588804
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC NameN-(2,5,6-trifluoro-3-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(F)c(F)nc1F
InChIInChI=1S/C7H5F3N2O/c1-3(13)11-5-2-4(8)6(9)12-7(5)10/h2H,1H3,(H,11,13)
InChIKeyBQIPNCPSIAALOC-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-Acetamidopyridine
CID 79978
Acetamide, 2,2,2-trifluoro-N-3-pyridinyl-
CID 605298
2-Fluoro-6-methylpyridin-3-amine
CID 17750148
6-Fluoro-2-methylpyridin-3-amine
CID 24729240
2,6-Difluoropyridin-3-amine
CID 45080006
6-Fluoro-2-iodopyridin-3-amine
CID 56924478
2,5,6-Trifluoropyridin-3-amine
CID 130055555
N-(2,6-dibromo-3-pyridinyl)-2,2,2-trifluoroacetamide
CID 102075577
6'-fluoro-[2,2'-bipyridin]-6(1H)-one
CID 177217693
N-(2,3,6-trifluoro-4-pyridinyl)acetamide
CID 11229252
N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide
CID 11298724
N-(2,6-dimethyl-3-pyridinyl)acetamide
CID 5169017

Frequently Asked Questions

What is the IUPAC name of N-(2,5,6-trifluoro-3-pyridinyl)acetamide?
The IUPAC name of N-(2,5,6-trifluoro-3-pyridinyl)acetamide (CID 164588804) is N-(2,5,6-trifluoro-3-pyridinyl)acetamide.
What is the SMILES notation for N-(2,5,6-trifluoro-3-pyridinyl)acetamide?
The canonical SMILES for N-(2,5,6-trifluoro-3-pyridinyl)acetamide is CC(=O)Nc1cc(F)c(F)nc1F.
What is the InChIKey of N-(2,5,6-trifluoro-3-pyridinyl)acetamide?
The InChIKey is BQIPNCPSIAALOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c1-3(13)11-5-2-4(8)6(9)12-7(5)10/h2H,1H3,(H,11,13).
What are the key properties of N-(2,5,6-trifluoro-3-pyridinyl)acetamide?
N-(2,5,6-trifluoro-3-pyridinyl)acetamide has a molecular weight of 190.12 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5,6-trifluoro-3-pyridinyl)acetamide is sourced from PubChem (CID 164588804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).