1-(3-fluoropropyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide

C9H12FN3O2 — CID 107018041

IUPAC1-(3-fluoropropyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(CCCF)c1=O
InChIInChI=1S/C9H12FN3O2/c10-4-2-6-13-5-1-3-7(9(13)14)8(11)12-15/h1,3,5,15H,2,4,6H2,(H2,11,12)
InChIKeyFKRISTYZPHTFHA-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.30
Rot. Bonds4

About 1-(3-fluoropropyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide

1-(3-fluoropropyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide (PubChem CID 107018041) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound Name1-(3-fluoropropyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide
PubChem CID107018041
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name1-(3-fluoropropyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(CCCF)c1=O
InChIInChI=1S/C9H12FN3O2/c10-4-2-6-13-5-1-3-7(9(13)14)8(11)12-15/h1,3,5,15H,2,4,6H2,(H2,11,12)
InChIKeyFKRISTYZPHTFHA-UHFFFAOYSA-N
XLogP0.30
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.30
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 1-(3-fluoropropyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide?
The IUPAC name of 1-(3-fluoropropyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide (CID 107018041) is 1-(3-fluoropropyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for 1-(3-fluoropropyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide?
The canonical SMILES for 1-(3-fluoropropyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide is N/C(=N/O)c1cccn(CCCF)c1=O.
What is the InChIKey of 1-(3-fluoropropyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide?
The InChIKey is FKRISTYZPHTFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c10-4-2-6-13-5-1-3-7(9(13)14)8(11)12-15/h1,3,5,15H,2,4,6H2,(H2,11,12).
What are the key properties of 1-(3-fluoropropyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide?
1-(3-fluoropropyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide has a molecular weight of 213.21 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 107018041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).