N'-hydroxy-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide

C10H12F3N3O3 — CID 107018026

IUPACN'-hydroxy-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(CCOCC(F)(F)F)c1=O
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)6-19-5-4-16-3-1-2-7(9(16)17)8(14)15-18/h1-3,18H,4-6H2,(H2,14,15)
InChIKeyPORXHFXMLFXOTA-UHFFFAOYSA-N
MW279.22 g/mol
LogP0.52
Rot. Bonds5

About N'-hydroxy-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide

N'-hydroxy-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide (PubChem CID 107018026) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is N'-hydroxy-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide
PubChem CID107018026
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC NameN'-hydroxy-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(CCOCC(F)(F)F)c1=O
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)6-19-5-4-16-3-1-2-7(9(16)17)8(14)15-18/h1-3,18H,4-6H2,(H2,14,15)
InChIKeyPORXHFXMLFXOTA-UHFFFAOYSA-N
XLogP0.52
TPSA89.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide (CID 107018026) is N'-hydroxy-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide is N/C(=N/O)c1cccn(CCOCC(F)(F)F)c1=O.
What is the InChIKey of N'-hydroxy-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide?
The InChIKey is PORXHFXMLFXOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c11-10(12,13)6-19-5-4-16-3-1-2-7(9(16)17)8(14)15-18/h1-3,18H,4-6H2,(H2,14,15).
What are the key properties of N'-hydroxy-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide?
N'-hydroxy-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide has a molecular weight of 279.22 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide is sourced from PubChem (CID 107018026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).