N'-anilino-N-iodoimino-1-nitro-N-oxido-N-oxomethanimidamide

C7H6IN5O2 — CID 148548445

IUPACN'-anilino-N-iodoimino-1-nitro-N-oxido-N-oxomethanimidamide
SMILESO=[N+]([O-])C(N=NI)=NNc1ccccc1
InChIInChI=1S/C7H6IN5O2/c8-12-11-7(13(14)15)10-9-6-4-2-1-3-5-6/h1-5,9H
InChIKeyJWQSJJNFILOVSL-UHFFFAOYSA-N
MW319.06 g/mol
LogP2.45
Rot. Bonds2

About N'-anilino-N-iodoimino-1-nitro-N-oxido-N-oxomethanimidamide

N'-anilino-N-iodoimino-1-nitro-N-oxido-N-oxomethanimidamide (PubChem CID 148548445) has the molecular formula C7H6IN5O2 and a molecular weight of 319.06 g/mol. Its IUPAC name is N'-anilino-N-iodoimino-1-nitro-N-oxido-N-oxomethanimidamide.

Molecular Properties

Compound NameN'-anilino-N-iodoimino-1-nitro-N-oxido-N-oxomethanimidamide
PubChem CID148548445
Molecular FormulaC7H6IN5O2
Molecular Weight319.06 g/mol
Exact Mass318.96
IUPAC NameN'-anilino-N-iodoimino-1-nitro-N-oxido-N-oxomethanimidamide
SMILESO=[N+]([O-])C(N=NI)=NNc1ccccc1
InChIInChI=1S/C7H6IN5O2/c8-12-11-7(13(14)15)10-9-6-4-2-1-3-5-6/h1-5,9H
InChIKeyJWQSJJNFILOVSL-UHFFFAOYSA-N
XLogP2.45
TPSA92.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.06
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-anilino-N-iodoimino-1-nitro-N-oxido-N-oxomethanimidamide?
The IUPAC name of N'-anilino-N-iodoimino-1-nitro-N-oxido-N-oxomethanimidamide (CID 148548445) is N'-anilino-N-iodoimino-1-nitro-N-oxido-N-oxomethanimidamide.
What is the SMILES notation for N'-anilino-N-iodoimino-1-nitro-N-oxido-N-oxomethanimidamide?
The canonical SMILES for N'-anilino-N-iodoimino-1-nitro-N-oxido-N-oxomethanimidamide is O=[N+]([O-])C(N=NI)=NNc1ccccc1.
What is the InChIKey of N'-anilino-N-iodoimino-1-nitro-N-oxido-N-oxomethanimidamide?
The InChIKey is JWQSJJNFILOVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN5O2/c8-12-11-7(13(14)15)10-9-6-4-2-1-3-5-6/h1-5,9H.
What are the key properties of N'-anilino-N-iodoimino-1-nitro-N-oxido-N-oxomethanimidamide?
N'-anilino-N-iodoimino-1-nitro-N-oxido-N-oxomethanimidamide has a molecular weight of 319.06 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilino-N-iodoimino-1-nitro-N-oxido-N-oxomethanimidamide is sourced from PubChem (CID 148548445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).