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

C13H10F3N3O2 — CID 79874596

IUPACN'-hydroxy-2-phenoxy-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(C(F)(F)F)nc1Oc1ccccc1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)10-7-6-9(11(17)19-20)12(18-10)21-8-4-2-1-3-5-8/h1-7,20H,(H2,17,19)
InChIKeyFFAAZJRCTZRXTN-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.99
Rot. Bonds3

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

N'-hydroxy-2-phenoxy-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79874596) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N'-hydroxy-2-phenoxy-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-phenoxy-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79874596
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC NameN'-hydroxy-2-phenoxy-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(C(F)(F)F)nc1Oc1ccccc1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)10-7-6-9(11(17)19-20)12(18-10)21-8-4-2-1-3-5-8/h1-7,20H,(H2,17,19)
InChIKeyFFAAZJRCTZRXTN-UHFFFAOYSA-N
XLogP2.99
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.99
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 N'-hydroxy-2-phenoxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-phenoxy-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79874596) is N'-hydroxy-2-phenoxy-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-phenoxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-phenoxy-6-(trifluoromethyl)pyridine-3-carboximidamide is NC(=NO)c1ccc(C(F)(F)F)nc1Oc1ccccc1.
What is the InChIKey of N'-hydroxy-2-phenoxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is FFAAZJRCTZRXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c14-13(15,16)10-7-6-9(11(17)19-20)12(18-10)21-8-4-2-1-3-5-8/h1-7,20H,(H2,17,19).
What are the key properties of N'-hydroxy-2-phenoxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
N'-hydroxy-2-phenoxy-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 297.24 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-phenoxy-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79874596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).