5-(2,2-difluoroethoxy)-N'-hydroxypyrazine-2-carboximidamide

C7H8F2N4O2 — CID 136985361

IUPAC5-(2,2-difluoroethoxy)-N'-hydroxypyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cnc(OCC(F)F)cn1
InChIInChI=1S/C7H8F2N4O2/c8-5(9)3-15-6-2-11-4(1-12-6)7(10)13-14/h1-2,5,14H,3H2,(H2,10,13)
InChIKeyRXLCJXVTHOWXPO-UHFFFAOYSA-N
MW218.16 g/mol
LogP0.22
Rot. Bonds4

About 5-(2,2-difluoroethoxy)-N'-hydroxypyrazine-2-carboximidamide

5-(2,2-difluoroethoxy)-N'-hydroxypyrazine-2-carboximidamide (PubChem CID 136985361) has the molecular formula C7H8F2N4O2 and a molecular weight of 218.16 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-N'-hydroxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-N'-hydroxypyrazine-2-carboximidamide
PubChem CID136985361
Molecular FormulaC7H8F2N4O2
Molecular Weight218.16 g/mol
Exact Mass218.06
IUPAC Name5-(2,2-difluoroethoxy)-N'-hydroxypyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cnc(OCC(F)F)cn1
InChIInChI=1S/C7H8F2N4O2/c8-5(9)3-15-6-2-11-4(1-12-6)7(10)13-14/h1-2,5,14H,3H2,(H2,10,13)
InChIKeyRXLCJXVTHOWXPO-UHFFFAOYSA-N
XLogP0.22
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

N'-hydroxy-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide
CID 136803441
N'-hydroxy-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide
CID 136914377
CID 136282139
CID 136282139
CID 136310513
CID 136310513
CID 136959612
CID 136959612
(2Z)-5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride
CID 136985360
(2Z)-N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride
CID 137026494
N'-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidamide
CID 137026522
CID 137098394
CID 137098394
5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride
CID 140779104
N-hydroxy-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboximidoyl chloride
CID 140846119
5-[2-(difluoromethoxy)ethoxy]-N'-hydroxypyrazine-2-carboximidamide
CID 144987969

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-N'-hydroxypyrazine-2-carboximidamide?
The IUPAC name of 5-(2,2-difluoroethoxy)-N'-hydroxypyrazine-2-carboximidamide (CID 136985361) is 5-(2,2-difluoroethoxy)-N'-hydroxypyrazine-2-carboximidamide.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-N'-hydroxypyrazine-2-carboximidamide?
The canonical SMILES for 5-(2,2-difluoroethoxy)-N'-hydroxypyrazine-2-carboximidamide is N/C(=N\O)c1cnc(OCC(F)F)cn1.
What is the InChIKey of 5-(2,2-difluoroethoxy)-N'-hydroxypyrazine-2-carboximidamide?
The InChIKey is RXLCJXVTHOWXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N4O2/c8-5(9)3-15-6-2-11-4(1-12-6)7(10)13-14/h1-2,5,14H,3H2,(H2,10,13).
What are the key properties of 5-(2,2-difluoroethoxy)-N'-hydroxypyrazine-2-carboximidamide?
5-(2,2-difluoroethoxy)-N'-hydroxypyrazine-2-carboximidamide has a molecular weight of 218.16 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-N'-hydroxypyrazine-2-carboximidamide is sourced from PubChem (CID 136985361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).