N'-hydroxy-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide

C9H10F3N3O2 — CID 107073507

IUPACN'-hydroxy-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(=O)n1CC(F)(F)F
InChIInChI=1S/C9H10F3N3O2/c1-5-2-3-6(7(13)14-17)8(16)15(5)4-9(10,11)12/h2-3,17H,4H2,1H3,(H2,13,14)
InChIKeyFPONYLDIONYYDK-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.81
Rot. Bonds2

About N'-hydroxy-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide

N'-hydroxy-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide (PubChem CID 107073507) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide
PubChem CID107073507
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC NameN'-hydroxy-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(=O)n1CC(F)(F)F
InChIInChI=1S/C9H10F3N3O2/c1-5-2-3-6(7(13)14-17)8(16)15(5)4-9(10,11)12/h2-3,17H,4H2,1H3,(H2,13,14)
InChIKeyFPONYLDIONYYDK-UHFFFAOYSA-N
XLogP0.81
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.81
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide (CID 107073507) is N'-hydroxy-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide is Cc1ccc(/C(N)=N/O)c(=O)n1CC(F)(F)F.
What is the InChIKey of N'-hydroxy-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide?
The InChIKey is FPONYLDIONYYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-5-2-3-6(7(13)14-17)8(16)15(5)4-9(10,11)12/h2-3,17H,4H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide?
N'-hydroxy-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide has a molecular weight of 249.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 107073507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).