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

C7H5ClF3N3O2 — CID 140846119

IUPACN-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride
SMILESON=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
InChIKeyCMDAMTAWLXZTPB-UHFFFAOYSA-N
MW255.58 g/mol
LogP1.79
Rot. Bonds3

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

N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride (PubChem CID 140846119) has the molecular formula C7H5ClF3N3O2 and a molecular weight of 255.58 g/mol. Its IUPAC name is N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride.

Molecular Properties

Compound NameN-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride
PubChem CID140846119
Molecular FormulaC7H5ClF3N3O2
Molecular Weight255.58 g/mol
Exact Mass255.00
IUPAC NameN-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride
SMILESON=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
InChIKeyCMDAMTAWLXZTPB-UHFFFAOYSA-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'}

Analyze N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride?
The IUPAC name of N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride (CID 140846119) is N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride.
What is the SMILES notation for N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride?
The canonical SMILES for N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride is ON=C(Cl)c1cnc(OCC(F)(F)F)cn1.
What is the InChIKey of N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride?
The InChIKey is CMDAMTAWLXZTPB-UHFFFAOYSA-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.
What are the key properties of N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride?
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 N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride is sourced from PubChem (CID 140846119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).