6-(4-chlorophenoxy)-N'-hydroxypyrazine-2-carboximidamide

C11H9ClN4O2 — CID 170856013

IUPAC6-(4-chlorophenoxy)-N'-hydroxypyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cncc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H9ClN4O2/c12-7-1-3-8(4-2-7)18-10-6-14-5-9(15-10)11(13)16-17/h1-6,17H,(H2,13,16)
InChIKeyFYLOCUQDOZOVAS-UHFFFAOYSA-N
MW264.67 g/mol
LogP2.02
Rot. Bonds3

About 6-(4-chlorophenoxy)-N'-hydroxypyrazine-2-carboximidamide

6-(4-chlorophenoxy)-N'-hydroxypyrazine-2-carboximidamide (PubChem CID 170856013) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-N'-hydroxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-N'-hydroxypyrazine-2-carboximidamide
PubChem CID170856013
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name6-(4-chlorophenoxy)-N'-hydroxypyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cncc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H9ClN4O2/c12-7-1-3-8(4-2-7)18-10-6-14-5-9(15-10)11(13)16-17/h1-6,17H,(H2,13,16)
InChIKeyFYLOCUQDOZOVAS-UHFFFAOYSA-N
XLogP2.02
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 52.02
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

6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide
CID 170856005
[6-(4-chlorophenoxy)pyrazin-2-yl]methanamine
CID 66450817
6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide
CID 170856008
N'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide
CID 170856044
6-phenoxypyrazine-2-carboxamide
CID 21218509
2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199980
6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide
CID 137103725
2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 110270026
2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519262
2-chloro-6-(4-methylphenoxy)pyrazine
CID 60726835
[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 95843678
N-[[6-(4-chlorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66450622

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-N'-hydroxypyrazine-2-carboximidamide?
The IUPAC name of 6-(4-chlorophenoxy)-N'-hydroxypyrazine-2-carboximidamide (CID 170856013) is 6-(4-chlorophenoxy)-N'-hydroxypyrazine-2-carboximidamide.
What is the SMILES notation for 6-(4-chlorophenoxy)-N'-hydroxypyrazine-2-carboximidamide?
The canonical SMILES for 6-(4-chlorophenoxy)-N'-hydroxypyrazine-2-carboximidamide is N/C(=N\O)c1cncc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenoxy)-N'-hydroxypyrazine-2-carboximidamide?
The InChIKey is FYLOCUQDOZOVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-7-1-3-8(4-2-7)18-10-6-14-5-9(15-10)11(13)16-17/h1-6,17H,(H2,13,16).
What are the key properties of 6-(4-chlorophenoxy)-N'-hydroxypyrazine-2-carboximidamide?
6-(4-chlorophenoxy)-N'-hydroxypyrazine-2-carboximidamide has a molecular weight of 264.67 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-N'-hydroxypyrazine-2-carboximidamide is sourced from PubChem (CID 170856013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).