N-(2,3,6-trifluoro-4-pyridinyl)acetamide

C7H5F3N2O — CID 11229252

IUPACN-(2,3,6-trifluoro-4-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(F)nc(F)c1F
InChIInChI=1S/C7H5F3N2O/c1-3(13)11-4-2-5(8)12-7(10)6(4)9/h2H,1H3,(H,11,12,13)
InChIKeyDEQKGXLFFPSCSW-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.46
Rot. Bonds1

About N-(2,3,6-trifluoro-4-pyridinyl)acetamide

N-(2,3,6-trifluoro-4-pyridinyl)acetamide (PubChem CID 11229252) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is N-(2,3,6-trifluoro-4-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2,3,6-trifluoro-4-pyridinyl)acetamide
PubChem CID11229252
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC NameN-(2,3,6-trifluoro-4-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(F)nc(F)c1F
InChIInChI=1S/C7H5F3N2O/c1-3(13)11-4-2-5(8)12-7(10)6(4)9/h2H,1H3,(H,11,12,13)
InChIKeyDEQKGXLFFPSCSW-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'}

Analyze N-(2,3,6-trifluoro-4-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3,6-trifluoro-4-pyridinyl)acetamide?
The IUPAC name of N-(2,3,6-trifluoro-4-pyridinyl)acetamide (CID 11229252) is N-(2,3,6-trifluoro-4-pyridinyl)acetamide.
What is the SMILES notation for N-(2,3,6-trifluoro-4-pyridinyl)acetamide?
The canonical SMILES for N-(2,3,6-trifluoro-4-pyridinyl)acetamide is CC(=O)Nc1cc(F)nc(F)c1F.
What is the InChIKey of N-(2,3,6-trifluoro-4-pyridinyl)acetamide?
The InChIKey is DEQKGXLFFPSCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c1-3(13)11-4-2-5(8)12-7(10)6(4)9/h2H,1H3,(H,11,12,13).
What are the key properties of N-(2,3,6-trifluoro-4-pyridinyl)acetamide?
N-(2,3,6-trifluoro-4-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-(2,3,6-trifluoro-4-pyridinyl)acetamide is sourced from PubChem (CID 11229252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).