2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C14H12F3N2O2+ — CID 8751008

IUPAC2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[n+]1cccc(O)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)10-3-1-4-11(7-10)18-13(21)9-19-6-2-5-12(20)8-19/h1-8H,9H2,(H-,18,20,21)/p+1
InChIKeyAHNAHXTYJKTTKK-UHFFFAOYSA-O
MW297.26 g/mol
LogP2.34
Rot. Bonds3

About 2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 8751008) has the molecular formula C14H12F3N2O2+ and a molecular weight of 297.26 g/mol. Its IUPAC name is 2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID8751008
Molecular FormulaC14H12F3N2O2+
Molecular Weight297.26 g/mol
Exact Mass297.08
IUPAC Name2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[n+]1cccc(O)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)10-3-1-4-11(7-10)18-13(21)9-19-6-2-5-12(20)8-19/h1-8H,9H2,(H-,18,20,21)/p+1
InChIKeyAHNAHXTYJKTTKK-UHFFFAOYSA-O
XLogP2.34
TPSA53.21 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4110787
2-isoquinolin-2-ium-2-yl-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 126958260
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
CID 89006052
CID 89006052
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751190
N-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751307
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
N-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyridin-1-ium-1-yl]acetamide;methanol;yttrium
CID 155692700
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 8751008) is 2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(C[n+]1cccc(O)c1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AHNAHXTYJKTTKK-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)10-3-1-4-11(7-10)18-13(21)9-19-6-2-5-12(20)8-19/h1-8H,9H2,(H-,18,20,21)/p+1.
What are the key properties of 2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 297.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 8751008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).