3-ethoxy-N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide

C9H10F3N3O2 — CID 135544978

IUPAC3-ethoxy-N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide
SMILESCCOc1cc(C(F)(F)F)cnc1/C(N)=N/O
InChIInChI=1S/C9H10F3N3O2/c1-2-17-6-3-5(9(10,11)12)4-14-7(6)8(13)15-16/h3-4,16H,2H2,1H3,(H2,13,15)
InChIKeyMIRUSLOUZRIWNE-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.59
Rot. Bonds3

About 3-ethoxy-N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide

3-ethoxy-N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide (PubChem CID 135544978) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 3-ethoxy-N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-ethoxy-N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide
PubChem CID135544978
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name3-ethoxy-N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide
SMILESCCOc1cc(C(F)(F)F)cnc1/C(N)=N/O
InChIInChI=1S/C9H10F3N3O2/c1-2-17-6-3-5(9(10,11)12)4-14-7(6)8(13)15-16/h3-4,16H,2H2,1H3,(H2,13,15)
InChIKeyMIRUSLOUZRIWNE-UHFFFAOYSA-N
XLogP1.59
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.59
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 3-ethoxy-N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide?
The IUPAC name of 3-ethoxy-N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide (CID 135544978) is 3-ethoxy-N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide.
What is the SMILES notation for 3-ethoxy-N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide?
The canonical SMILES for 3-ethoxy-N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide is CCOc1cc(C(F)(F)F)cnc1/C(N)=N/O.
What is the InChIKey of 3-ethoxy-N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide?
The InChIKey is MIRUSLOUZRIWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-2-17-6-3-5(9(10,11)12)4-14-7(6)8(13)15-16/h3-4,16H,2H2,1H3,(H2,13,15).
What are the key properties of 3-ethoxy-N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide?
3-ethoxy-N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide has a molecular weight of 249.19 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 135544978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).