hydrogen selenite;N'-hydroxypyridine-4-carboximidamide

C6H8N3O4Se- — CID 135465891

IUPAChydrogen selenite;N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccncc1.O=[Se]([O-])O
InChIInChI=1S/C6H7N3O.H2O3Se/c7-6(9-10)5-1-3-8-4-2-5;1-4(2)3/h1-4,10H,(H2,7,9);(H2,1,2,3)/p-1
InChIKeyPGTVMCJFNUOGMX-UHFFFAOYSA-M
MW265.11 g/mol
LogP-2.07
Rot. Bonds1

About hydrogen selenite;N'-hydroxypyridine-4-carboximidamide

hydrogen selenite;N'-hydroxypyridine-4-carboximidamide (PubChem CID 135465891) has the molecular formula C6H8N3O4Se- and a molecular weight of 265.11 g/mol. Its IUPAC name is hydrogen selenite;N'-hydroxypyridine-4-carboximidamide.

Molecular Properties

Compound Namehydrogen selenite;N'-hydroxypyridine-4-carboximidamide
PubChem CID135465891
Molecular FormulaC6H8N3O4Se-
Molecular Weight265.11 g/mol
Exact Mass265.97
IUPAC Namehydrogen selenite;N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccncc1.O=[Se]([O-])O
InChIInChI=1S/C6H7N3O.H2O3Se/c7-6(9-10)5-1-3-8-4-2-5;1-4(2)3/h1-4,10H,(H2,7,9);(H2,1,2,3)/p-1
InChIKeyPGTVMCJFNUOGMX-UHFFFAOYSA-M
XLogP-2.07
TPSA131.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of hydrogen selenite;N'-hydroxypyridine-4-carboximidamide?
The IUPAC name of hydrogen selenite;N'-hydroxypyridine-4-carboximidamide (CID 135465891) is hydrogen selenite;N'-hydroxypyridine-4-carboximidamide.
What is the SMILES notation for hydrogen selenite;N'-hydroxypyridine-4-carboximidamide?
The canonical SMILES for hydrogen selenite;N'-hydroxypyridine-4-carboximidamide is N/C(=N/O)c1ccncc1.O=[Se]([O-])O.
What is the InChIKey of hydrogen selenite;N'-hydroxypyridine-4-carboximidamide?
The InChIKey is PGTVMCJFNUOGMX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7N3O.H2O3Se/c7-6(9-10)5-1-3-8-4-2-5;1-4(2)3/h1-4,10H,(H2,7,9);(H2,1,2,3)/p-1.
What are the key properties of hydrogen selenite;N'-hydroxypyridine-4-carboximidamide?
hydrogen selenite;N'-hydroxypyridine-4-carboximidamide has a molecular weight of 265.11 g/mol, XLogP of -2.07, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen selenite;N'-hydroxypyridine-4-carboximidamide is sourced from PubChem (CID 135465891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).