6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate

C11H5N4OSe- — CID 15326256

IUPAC6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate
SMILESN#Cc1c(N)nc([Se-])c(C#N)c1-c1ccco1
InChIInChI=1S/C11H6N4OSe/c12-4-6-9(8-2-1-3-16-8)7(5-13)11(17)15-10(6)14/h1-3H,(H3,14,15,17)/p-1
InChIKeyWGRDMLUSRPLFKF-UHFFFAOYSA-M
MW288.15 g/mol
LogP0.46
Rot. Bonds1

About 6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate

6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate (PubChem CID 15326256) has the molecular formula C11H5N4OSe- and a molecular weight of 288.15 g/mol. Its IUPAC name is 6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate.

Molecular Properties

Compound Name6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate
PubChem CID15326256
Molecular FormulaC11H5N4OSe-
Molecular Weight288.15 g/mol
Exact Mass288.96
IUPAC Name6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate
SMILESN#Cc1c(N)nc([Se-])c(C#N)c1-c1ccco1
InChIInChI=1S/C11H6N4OSe/c12-4-6-9(8-2-1-3-16-8)7(5-13)11(17)15-10(6)14/h1-3H,(H3,14,15,17)/p-1
InChIKeyWGRDMLUSRPLFKF-UHFFFAOYSA-M
XLogP0.46
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate?
The IUPAC name of 6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate (CID 15326256) is 6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate.
What is the SMILES notation for 6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate?
The canonical SMILES for 6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate is N#Cc1c(N)nc([Se-])c(C#N)c1-c1ccco1.
What is the InChIKey of 6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate?
The InChIKey is WGRDMLUSRPLFKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H6N4OSe/c12-4-6-9(8-2-1-3-16-8)7(5-13)11(17)15-10(6)14/h1-3H,(H3,14,15,17)/p-1.
What are the key properties of 6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate?
6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate has a molecular weight of 288.15 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate is sourced from PubChem (CID 15326256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).