N'-hydroxy-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboximidamide

C9H10F3N3O2 — CID 107018007

IUPACN'-hydroxy-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(CCC(F)(F)F)c1=O
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)3-5-15-4-1-2-6(8(15)16)7(13)14-17/h1-2,4,17H,3,5H2,(H2,13,14)
InChIKeyBKSMSTJPSFHXHA-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.90
Rot. Bonds3

About N'-hydroxy-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboximidamide

N'-hydroxy-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboximidamide (PubChem CID 107018007) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is N'-hydroxy-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboximidamide
PubChem CID107018007
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC NameN'-hydroxy-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(CCC(F)(F)F)c1=O
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)3-5-15-4-1-2-6(8(15)16)7(13)14-17/h1-2,4,17H,3,5H2,(H2,13,14)
InChIKeyBKSMSTJPSFHXHA-UHFFFAOYSA-N
XLogP0.90
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.90
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-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboximidamide (CID 107018007) is N'-hydroxy-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboximidamide is N/C(=N/O)c1cccn(CCC(F)(F)F)c1=O.
What is the InChIKey of N'-hydroxy-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboximidamide?
The InChIKey is BKSMSTJPSFHXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)3-5-15-4-1-2-6(8(15)16)7(13)14-17/h1-2,4,17H,3,5H2,(H2,13,14).
What are the key properties of N'-hydroxy-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboximidamide?
N'-hydroxy-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboximidamide has a molecular weight of 249.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboximidamide is sourced from PubChem (CID 107018007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).