(2Z)-N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride

C7H5ClF3N3O2 — CID 137026494

IUPAC(2Z)-N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride
SMILESO/N=C(\Cl)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C7H5ClF3N3O2/c8-6(14-15)4-1-13-5(2-12-4)16-3-7(9,10)11/h1-2,15H,3H2/b14-6-
InChIKeyCMDAMTAWLXZTPB-NSIKDUERSA-N
MW255.58 g/mol
LogP1.79
Rot. Bonds3

About (2Z)-N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride

(2Z)-N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride (PubChem CID 137026494) has the molecular formula C7H5ClF3N3O2 and a molecular weight of 255.58 g/mol. Its IUPAC name is (2Z)-N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride.

Molecular Properties

Compound Name(2Z)-N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride
PubChem CID137026494
Molecular FormulaC7H5ClF3N3O2
Molecular Weight255.58 g/mol
Exact Mass255.00
IUPAC Name(2Z)-N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride
SMILESO/N=C(\Cl)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C7H5ClF3N3O2/c8-6(14-15)4-1-13-5(2-12-4)16-3-7(9,10)11/h1-2,15H,3H2/b14-6-
InChIKeyCMDAMTAWLXZTPB-NSIKDUERSA-N
XLogP1.79
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.58
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (2Z)-N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride?
The IUPAC name of (2Z)-N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride (CID 137026494) is (2Z)-N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride.
What is the SMILES notation for (2Z)-N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride?
The canonical SMILES for (2Z)-N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride is O/N=C(\Cl)c1cnc(OCC(F)(F)F)cn1.
What is the InChIKey of (2Z)-N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride?
The InChIKey is CMDAMTAWLXZTPB-NSIKDUERSA-N. The full InChI is InChI=1S/C7H5ClF3N3O2/c8-6(14-15)4-1-13-5(2-12-4)16-3-7(9,10)11/h1-2,15H,3H2/b14-6-.
What are the key properties of (2Z)-N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride?
(2Z)-N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride has a molecular weight of 255.58 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride is sourced from PubChem (CID 137026494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).