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

C12H14F3N3O2 — CID 79877458

IUPAC2-cyclopentyloxy-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(C(F)(F)F)nc1OC1CCCC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)9-6-5-8(10(16)18-19)11(17-9)20-7-3-1-2-4-7/h5-7,19H,1-4H2,(H2,16,18)
InChIKeyFQQMPESXVBBJEJ-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.52
Rot. Bonds3

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

2-cyclopentyloxy-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79877458) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-cyclopentyloxy-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-cyclopentyloxy-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79877458
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name2-cyclopentyloxy-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(C(F)(F)F)nc1OC1CCCC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)9-6-5-8(10(16)18-19)11(17-9)20-7-3-1-2-4-7/h5-7,19H,1-4H2,(H2,16,18)
InChIKeyFQQMPESXVBBJEJ-UHFFFAOYSA-N
XLogP2.52
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.52
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 2-cyclopentyloxy-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-cyclopentyloxy-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79877458) is 2-cyclopentyloxy-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-cyclopentyloxy-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-cyclopentyloxy-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide is NC(=NO)c1ccc(C(F)(F)F)nc1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is FQQMPESXVBBJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)9-6-5-8(10(16)18-19)11(17-9)20-7-3-1-2-4-7/h5-7,19H,1-4H2,(H2,16,18).
What are the key properties of 2-cyclopentyloxy-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-cyclopentyloxy-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 289.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79877458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).