N'-hydroxy-6-methyl-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide

C11H14F3N3O3 — CID 107073567

IUPACN'-hydroxy-6-methyl-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(=O)n1CCOCC(F)(F)F
InChIInChI=1S/C11H14F3N3O3/c1-7-2-3-8(9(15)16-19)10(18)17(7)4-5-20-6-11(12,13)14/h2-3,19H,4-6H2,1H3,(H2,15,16)
InChIKeyNLWAKVITUWWKKX-UHFFFAOYSA-N
MW293.25 g/mol
LogP0.83
Rot. Bonds5

About N'-hydroxy-6-methyl-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide

N'-hydroxy-6-methyl-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide (PubChem CID 107073567) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide
PubChem CID107073567
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC NameN'-hydroxy-6-methyl-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(=O)n1CCOCC(F)(F)F
InChIInChI=1S/C11H14F3N3O3/c1-7-2-3-8(9(15)16-19)10(18)17(7)4-5-20-6-11(12,13)14/h2-3,19H,4-6H2,1H3,(H2,15,16)
InChIKeyNLWAKVITUWWKKX-UHFFFAOYSA-N
XLogP0.83
TPSA89.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide (CID 107073567) is N'-hydroxy-6-methyl-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide is Cc1ccc(/C(N)=N/O)c(=O)n1CCOCC(F)(F)F.
What is the InChIKey of N'-hydroxy-6-methyl-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide?
The InChIKey is NLWAKVITUWWKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-7-2-3-8(9(15)16-19)10(18)17(7)4-5-20-6-11(12,13)14/h2-3,19H,4-6H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-6-methyl-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide?
N'-hydroxy-6-methyl-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide has a molecular weight of 293.25 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboximidamide is sourced from PubChem (CID 107073567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).