N'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide

C12H14F3N3O3 — CID 79874778

IUPACN'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(C(F)(F)F)nc1OCC1CCOC1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)9-2-1-8(10(16)18-19)11(17-9)21-6-7-3-4-20-5-7/h1-2,7,19H,3-6H2,(H2,16,18)
InChIKeyHZCZTIAOWXBFNP-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.61
Rot. Bonds4

About N'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide

N'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79874778) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is N'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79874778
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC NameN'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(C(F)(F)F)nc1OCC1CCOC1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)9-2-1-8(10(16)18-19)11(17-9)21-6-7-3-4-20-5-7/h1-2,7,19H,3-6H2,(H2,16,18)
InChIKeyHZCZTIAOWXBFNP-UHFFFAOYSA-N
XLogP1.61
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79874778) is N'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide is NC(=NO)c1ccc(C(F)(F)F)nc1OCC1CCOC1.
What is the InChIKey of N'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is HZCZTIAOWXBFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c13-12(14,15)9-2-1-8(10(16)18-19)11(17-9)21-6-7-3-4-20-5-7/h1-2,7,19H,3-6H2,(H2,16,18).
What are the key properties of N'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
N'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 305.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79874778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).