N'-hydroxy-2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide

C8H8F3N3O2 — CID 24710988

IUPACN'-hydroxy-2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
SMILESN/C(=N\O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)4-16-7-5(6(12)14-15)2-1-3-13-7/h1-3,15H,4H2,(H2,12,14)
InChIKeyFSNBDVYBVBCTNA-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.12
Rot. Bonds3

About N'-hydroxy-2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide

N'-hydroxy-2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide (PubChem CID 24710988) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is N'-hydroxy-2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
PubChem CID24710988
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC NameN'-hydroxy-2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
SMILESN/C(=N\O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)4-16-7-5(6(12)14-15)2-1-3-13-7/h1-3,15H,4H2,(H2,12,14)
InChIKeyFSNBDVYBVBCTNA-UHFFFAOYSA-N
XLogP1.12
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.12
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-2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide (CID 24710988) is N'-hydroxy-2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide is N/C(=N\O)c1cccnc1OCC(F)(F)F.
What is the InChIKey of N'-hydroxy-2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide?
The InChIKey is FSNBDVYBVBCTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)4-16-7-5(6(12)14-15)2-1-3-13-7/h1-3,15H,4H2,(H2,12,14).
What are the key properties of N'-hydroxy-2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide?
N'-hydroxy-2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide has a molecular weight of 235.16 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 24710988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).