5-aminoperoxysulfanylpyridine-3-carbaldehyde

C6H6N2O3S — CID 59306270

IUPAC5-aminoperoxysulfanylpyridine-3-carbaldehyde
SMILESNOOSc1cncc(C=O)c1
InChIInChI=1S/C6H6N2O3S/c7-10-11-12-6-1-5(4-9)2-8-3-6/h1-4H,7H2
InChIKeyLPDFLASHJCTEGC-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.72
Rot. Bonds4

About 5-aminoperoxysulfanylpyridine-3-carbaldehyde

5-aminoperoxysulfanylpyridine-3-carbaldehyde (PubChem CID 59306270) has the molecular formula C6H6N2O3S and a molecular weight of 186.19 g/mol. Its IUPAC name is 5-aminoperoxysulfanylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-aminoperoxysulfanylpyridine-3-carbaldehyde
PubChem CID59306270
Molecular FormulaC6H6N2O3S
Molecular Weight186.19 g/mol
Exact Mass186.01
IUPAC Name5-aminoperoxysulfanylpyridine-3-carbaldehyde
SMILESNOOSc1cncc(C=O)c1
InChIInChI=1S/C6H6N2O3S/c7-10-11-12-6-1-5(4-9)2-8-3-6/h1-4H,7H2
InChIKeyLPDFLASHJCTEGC-UHFFFAOYSA-N
XLogP0.72
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-iodopyridine-3-carbaldehyde
CID 23436817
5-(2-fluoropropan-2-yl)pyridine-3-carbaldehyde
CID 59570146
potassium;5-bromopyridine-3-carbaldehyde;hydroxide
CID 172681834
5-difluoroboranylpyridine-3-carbaldehyde
CID 57416946
5-(4-aminophenyl)pyridine-3-carbaldehyde
CID 87406036
5-formylpyridine-3-carbonitrile
CID 12919806
5-propan-2-ylpyridine-3-carbaldehyde;hydrochloride
CID 155943309
5-(1-amino-2-hydroxyethyl)pyridine-3-carbaldehyde
CID 123368267
5-thiophen-2-ylpyridine-3-carbaldehyde
CID 11805508
5-butoxypyridine-3-carbaldehyde
CID 89111461
4-(5-formyl-3-pyridinyl)but-3-enamide
CID 170797651
5-cyclohexylpyridine-3-carbaldehyde
CID 82404419

Frequently Asked Questions

What is the IUPAC name of 5-aminoperoxysulfanylpyridine-3-carbaldehyde?
The IUPAC name of 5-aminoperoxysulfanylpyridine-3-carbaldehyde (CID 59306270) is 5-aminoperoxysulfanylpyridine-3-carbaldehyde.
What is the SMILES notation for 5-aminoperoxysulfanylpyridine-3-carbaldehyde?
The canonical SMILES for 5-aminoperoxysulfanylpyridine-3-carbaldehyde is NOOSc1cncc(C=O)c1.
What is the InChIKey of 5-aminoperoxysulfanylpyridine-3-carbaldehyde?
The InChIKey is LPDFLASHJCTEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3S/c7-10-11-12-6-1-5(4-9)2-8-3-6/h1-4H,7H2.
What are the key properties of 5-aminoperoxysulfanylpyridine-3-carbaldehyde?
5-aminoperoxysulfanylpyridine-3-carbaldehyde has a molecular weight of 186.19 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminoperoxysulfanylpyridine-3-carbaldehyde is sourced from PubChem (CID 59306270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).