1-(2,2-difluoroethyl)-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide

C9H11F2N3O2 — CID 107073517

IUPAC1-(2,2-difluoroethyl)-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(=O)n1CC(F)F
InChIInChI=1S/C9H11F2N3O2/c1-5-2-3-6(8(12)13-16)9(15)14(5)4-7(10)11/h2-3,7,16H,4H2,1H3,(H2,12,13)
InChIKeyTZBFOADGJSKRQS-UHFFFAOYSA-N
MW231.20 g/mol
LogP0.52
Rot. Bonds3

About 1-(2,2-difluoroethyl)-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide

1-(2,2-difluoroethyl)-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide (PubChem CID 107073517) has the molecular formula C9H11F2N3O2 and a molecular weight of 231.20 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
PubChem CID107073517
Molecular FormulaC9H11F2N3O2
Molecular Weight231.20 g/mol
Exact Mass231.08
IUPAC Name1-(2,2-difluoroethyl)-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(=O)n1CC(F)F
InChIInChI=1S/C9H11F2N3O2/c1-5-2-3-6(8(12)13-16)9(15)14(5)4-7(10)11/h2-3,7,16H,4H2,1H3,(H2,12,13)
InChIKeyTZBFOADGJSKRQS-UHFFFAOYSA-N
XLogP0.52
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 50.52
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 1-(2,2-difluoroethyl)-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide (CID 107073517) is 1-(2,2-difluoroethyl)-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide is Cc1ccc(/C(N)=N/O)c(=O)n1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide?
The InChIKey is TZBFOADGJSKRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O2/c1-5-2-3-6(8(12)13-16)9(15)14(5)4-7(10)11/h2-3,7,16H,4H2,1H3,(H2,12,13).
What are the key properties of 1-(2,2-difluoroethyl)-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide?
1-(2,2-difluoroethyl)-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide has a molecular weight of 231.20 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 107073517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).