N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide

C7H6F3N3O — CID 135949149

IUPACN'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)4-1-2-5(12-3-4)6(11)13-14/h1-3,14H,(H2,11,13)
InChIKeyIOVAOMNWIMZGCG-UHFFFAOYSA-N
MW205.14 g/mol
LogP1.19
Rot. Bonds1

About N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide

N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide (PubChem CID 135949149) has the molecular formula C7H6F3N3O and a molecular weight of 205.14 g/mol. Its IUPAC name is N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide
PubChem CID135949149
Molecular FormulaC7H6F3N3O
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC NameN'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)4-1-2-5(12-3-4)6(11)13-14/h1-3,14H,(H2,11,13)
InChIKeyIOVAOMNWIMZGCG-UHFFFAOYSA-N
XLogP1.19
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-5-(trifluoromethyl)pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide (CID 135949149) is N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide is N/C(=N/O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide?
The InChIKey is IOVAOMNWIMZGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O/c8-7(9,10)4-1-2-5(12-3-4)6(11)13-14/h1-3,14H,(H2,11,13).
What are the key properties of N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide?
N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide has a molecular weight of 205.14 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 135949149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).