N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide

C8H8F3N3O2 — CID 107017955

IUPACN'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)4-14-3-1-2-5(7(14)15)6(12)13-16/h1-3,16H,4H2,(H2,12,13)
InChIKeyJXZBEXPBYOHQLC-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.51
Rot. Bonds2

About N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide

N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide (PubChem CID 107017955) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide
PubChem CID107017955
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC NameN'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)4-14-3-1-2-5(7(14)15)6(12)13-16/h1-3,16H,4H2,(H2,12,13)
InChIKeyJXZBEXPBYOHQLC-UHFFFAOYSA-N
XLogP0.51
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-difluoroethyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107017967
N'-hydroxy-2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboximidamide
CID 107017970
N'-hydroxy-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboximidamide
CID 107018007
N'-hydroxy-2-oxo-1-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboximidamide
CID 107018011
1-(2-fluoroethyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018024
N'-hydroxy-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide
CID 107018026
1-(3-fluoropropyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018041
N'-hydroxy-2-oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-3-carboximidamide
CID 107018134
N'-hydroxy-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide
CID 107073507
1-(2,2-difluoroethyl)-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073517
N'-hydroxy-6-methyl-2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboximidamide
CID 107073520
N'-hydroxy-6-methyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboximidamide
CID 107073538

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide (CID 107017955) is N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide is N/C(=N/O)c1cccn(CC(F)(F)F)c1=O.
What is the InChIKey of N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide?
The InChIKey is JXZBEXPBYOHQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)4-14-3-1-2-5(7(14)15)6(12)13-16/h1-3,16H,4H2,(H2,12,13).
What are the key properties of N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide?
N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide has a molecular weight of 235.16 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 107017955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).