N'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide

C11H13F3N4O2 — CID 79681250

IUPACN'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(c2ncccc2C(F)(F)F)CCO1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)7-2-1-3-16-10(7)18-4-5-20-8(6-18)9(15)17-19/h1-3,8,19H,4-6H2,(H2,15,17)
InChIKeySVGXWHVSRHFYIS-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.05
Rot. Bonds2

About N'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide

N'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide (PubChem CID 79681250) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.24 g/mol. Its IUPAC name is N'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide
PubChem CID79681250
Molecular FormulaC11H13F3N4O2
Molecular Weight290.24 g/mol
Exact Mass290.10
IUPAC NameN'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(c2ncccc2C(F)(F)F)CCO1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)7-2-1-3-16-10(7)18-4-5-20-8(6-18)9(15)17-19/h1-3,8,19H,4-6H2,(H2,15,17)
InChIKeySVGXWHVSRHFYIS-UHFFFAOYSA-N
XLogP1.05
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.05
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide (CID 79681250) is N'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide is NC(=NO)C1CN(c2ncccc2C(F)(F)F)CCO1.
What is the InChIKey of N'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide?
The InChIKey is SVGXWHVSRHFYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c12-11(13,14)7-2-1-3-16-10(7)18-4-5-20-8(6-18)9(15)17-19/h1-3,8,19H,4-6H2,(H2,15,17).
What are the key properties of N'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide?
N'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide has a molecular weight of 290.24 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide is sourced from PubChem (CID 79681250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).