5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile

C16H8N4Se — CID 59637224

IUPAC5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)nc3)[se]2)cn1
InChIInChI=1S/C16H8N4Se/c1-18-16-7-3-12(10-20-16)15-6-5-14(21-15)11-2-4-13(8-17)19-9-11/h2-7,9-10H
InChIKeyKYPOCGWSAUYQHY-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.29
Rot. Bonds2

About 5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile

5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile (PubChem CID 59637224) has the molecular formula C16H8N4Se and a molecular weight of 335.23 g/mol. Its IUPAC name is 5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile
PubChem CID59637224
Molecular FormulaC16H8N4Se
Molecular Weight335.23 g/mol
Exact Mass335.99
IUPAC Name5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)nc3)[se]2)cn1
InChIInChI=1S/C16H8N4Se/c1-18-16-7-3-12(10-20-16)15-6-5-14(21-15)11-2-4-13(8-17)19-9-11/h2-7,9-10H
InChIKeyKYPOCGWSAUYQHY-UHFFFAOYSA-N
XLogP3.29
TPSA53.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile (CID 59637224) is 5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile is [C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)nc3)[se]2)cn1.
What is the InChIKey of 5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile?
The InChIKey is KYPOCGWSAUYQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N4Se/c1-18-16-7-3-12(10-20-16)15-6-5-14(21-15)11-2-4-13(8-17)19-9-11/h2-7,9-10H.
What are the key properties of 5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile?
5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile has a molecular weight of 335.23 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 59637224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).