(2Z)-5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride

C7H6ClF2N3O2 — CID 136985360

IUPAC(2Z)-5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride
SMILESO/N=C(\Cl)c1cnc(OCC(F)F)cn1
InChIInChI=1S/C7H6ClF2N3O2/c8-7(13-14)4-1-12-6(2-11-4)15-3-5(9)10/h1-2,5,14H,3H2/b13-7-
InChIKeyAJZUAPMDYDYEFJ-QPEQYQDCSA-N
MW237.59 g/mol
LogP1.50
Rot. Bonds4

About (2Z)-5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride

(2Z)-5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride (PubChem CID 136985360) has the molecular formula C7H6ClF2N3O2 and a molecular weight of 237.59 g/mol. Its IUPAC name is (2Z)-5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride.

Molecular Properties

Compound Name(2Z)-5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride
PubChem CID136985360
Molecular FormulaC7H6ClF2N3O2
Molecular Weight237.59 g/mol
Exact Mass237.01
IUPAC Name(2Z)-5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride
SMILESO/N=C(\Cl)c1cnc(OCC(F)F)cn1
InChIInChI=1S/C7H6ClF2N3O2/c8-7(13-14)4-1-12-6(2-11-4)15-3-5(9)10/h1-2,5,14H,3H2/b13-7-
InChIKeyAJZUAPMDYDYEFJ-QPEQYQDCSA-N
XLogP1.50
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.59
LogP ≤ 51.50
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)-5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride?
The IUPAC name of (2Z)-5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride (CID 136985360) is (2Z)-5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride.
What is the SMILES notation for (2Z)-5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride?
The canonical SMILES for (2Z)-5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride is O/N=C(\Cl)c1cnc(OCC(F)F)cn1.
What is the InChIKey of (2Z)-5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride?
The InChIKey is AJZUAPMDYDYEFJ-QPEQYQDCSA-N. The full InChI is InChI=1S/C7H6ClF2N3O2/c8-7(13-14)4-1-12-6(2-11-4)15-3-5(9)10/h1-2,5,14H,3H2/b13-7-.
What are the key properties of (2Z)-5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride?
(2Z)-5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride has a molecular weight of 237.59 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-(2,2-difluoroethoxy)-N-hydroxypyrazine-2-carboximidoyl chloride is sourced from PubChem (CID 136985360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).