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

C11H14F3N3O3 — CID 107017970

IUPACN'-hydroxy-2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(CCCOCC(F)(F)F)c1=O
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)7-20-6-2-5-17-4-1-3-8(10(17)18)9(15)16-19/h1,3-4,19H,2,5-7H2,(H2,15,16)
InChIKeyCHSUSBDTWFNFMH-UHFFFAOYSA-N
MW293.25 g/mol
LogP0.91
Rot. Bonds6

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

N'-hydroxy-2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboximidamide (PubChem CID 107017970) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is N'-hydroxy-2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboximidamide
PubChem CID107017970
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC NameN'-hydroxy-2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(CCCOCC(F)(F)F)c1=O
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)7-20-6-2-5-17-4-1-3-8(10(17)18)9(15)16-19/h1,3-4,19H,2,5-7H2,(H2,15,16)
InChIKeyCHSUSBDTWFNFMH-UHFFFAOYSA-N
XLogP0.91
TPSA89.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 50.91
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-2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboximidamide (CID 107017970) is N'-hydroxy-2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboximidamide is N/C(=N/O)c1cccn(CCCOCC(F)(F)F)c1=O.
What is the InChIKey of N'-hydroxy-2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboximidamide?
The InChIKey is CHSUSBDTWFNFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c12-11(13,14)7-20-6-2-5-17-4-1-3-8(10(17)18)9(15)16-19/h1,3-4,19H,2,5-7H2,(H2,15,16).
What are the key properties of N'-hydroxy-2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboximidamide?
N'-hydroxy-2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboximidamide has a molecular weight of 293.25 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboximidamide is sourced from PubChem (CID 107017970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).