N'-hydroxy-6-methyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboximidamide

C11H14F3N3O2 — CID 107073538

IUPACN'-hydroxy-6-methyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(=O)n1CCCC(F)(F)F
InChIInChI=1S/C11H14F3N3O2/c1-7-3-4-8(9(15)16-19)10(18)17(7)6-2-5-11(12,13)14/h3-4,19H,2,5-6H2,1H3,(H2,15,16)
InChIKeyPJHRUTXZCZDNDN-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.59
Rot. Bonds4

About N'-hydroxy-6-methyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboximidamide

N'-hydroxy-6-methyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboximidamide (PubChem CID 107073538) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboximidamide
PubChem CID107073538
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC NameN'-hydroxy-6-methyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(=O)n1CCCC(F)(F)F
InChIInChI=1S/C11H14F3N3O2/c1-7-3-4-8(9(15)16-19)10(18)17(7)6-2-5-11(12,13)14/h3-4,19H,2,5-6H2,1H3,(H2,15,16)
InChIKeyPJHRUTXZCZDNDN-UHFFFAOYSA-N
XLogP1.59
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.59
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-6-methyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboximidamide (CID 107073538) is N'-hydroxy-6-methyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboximidamide is Cc1ccc(/C(N)=N/O)c(=O)n1CCCC(F)(F)F.
What is the InChIKey of N'-hydroxy-6-methyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboximidamide?
The InChIKey is PJHRUTXZCZDNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-7-3-4-8(9(15)16-19)10(18)17(7)6-2-5-11(12,13)14/h3-4,19H,2,5-6H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-6-methyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboximidamide?
N'-hydroxy-6-methyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboximidamide has a molecular weight of 277.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboximidamide is sourced from PubChem (CID 107073538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).