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

C13H18F3N3O2 — CID 103283887

IUPACN'-hydroxy-2-(2-methylpentoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESCCCC(C)COc1nc(C(F)(F)F)ccc1/C(N)=N/O
InChIInChI=1S/C13H18F3N3O2/c1-3-4-8(2)7-21-12-9(11(17)19-20)5-6-10(18-12)13(14,15)16/h5-6,8,20H,3-4,7H2,1-2H3,(H2,17,19)
InChIKeyUSJGIIGYUOPXAV-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.01
Rot. Bonds6

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

N'-hydroxy-2-(2-methylpentoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 103283887) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methylpentoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methylpentoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID103283887
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN'-hydroxy-2-(2-methylpentoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESCCCC(C)COc1nc(C(F)(F)F)ccc1/C(N)=N/O
InChIInChI=1S/C13H18F3N3O2/c1-3-4-8(2)7-21-12-9(11(17)19-20)5-6-10(18-12)13(14,15)16/h5-6,8,20H,3-4,7H2,1-2H3,(H2,17,19)
InChIKeyUSJGIIGYUOPXAV-UHFFFAOYSA-N
XLogP3.01
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.01
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'}

Analyze N'-hydroxy-2-(2-methylpentoxy)-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-(2-methylpentoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(2-methylpentoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 103283887) is N'-hydroxy-2-(2-methylpentoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methylpentoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-methylpentoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide is CCCC(C)COc1nc(C(F)(F)F)ccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-(2-methylpentoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is USJGIIGYUOPXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-3-4-8(2)7-21-12-9(11(17)19-20)5-6-10(18-12)13(14,15)16/h5-6,8,20H,3-4,7H2,1-2H3,(H2,17,19).
What are the key properties of N'-hydroxy-2-(2-methylpentoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
N'-hydroxy-2-(2-methylpentoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 305.30 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methylpentoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 103283887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).