6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile

C17H9N3Se — CID 86649440

IUPAC6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(C#N)cn3)[se]2)cc1
InChIInChI=1S/C17H9N3Se/c18-9-12-1-4-14(5-2-12)16-7-8-17(21-16)15-6-3-13(10-19)11-20-15/h1-8,11H
InChIKeyIPFFXLLXPRIHEM-UHFFFAOYSA-N
MW334.24 g/mol
LogP3.22
Rot. Bonds2

About 6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile

6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile (PubChem CID 86649440) has the molecular formula C17H9N3Se and a molecular weight of 334.24 g/mol. Its IUPAC name is 6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile
PubChem CID86649440
Molecular FormulaC17H9N3Se
Molecular Weight334.24 g/mol
Exact Mass335.00
IUPAC Name6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(C#N)cn3)[se]2)cc1
InChIInChI=1S/C17H9N3Se/c18-9-12-1-4-14(5-2-12)16-7-8-17(21-16)15-6-3-13(10-19)11-20-15/h1-8,11H
InChIKeyIPFFXLLXPRIHEM-UHFFFAOYSA-N
XLogP3.22
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
6-(3,4-difluorophenyl)pyridine-3-carbonitrile
CID 82113723
6-naphthalen-2-ylpyridine-3-carbonitrile
CID 10537434
6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile
CID 82114384
5-[6-(4-cyanophenyl)-3-pyridinyl]pyrazine-2-carbonitrile
CID 67751358
6-[4-(5-isocyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 58774670
6-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-3-carbonitrile
CID 58478021
6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile
CID 69230670
4-(5-cyclopropyl-2-pyridinyl)benzonitrile
CID 138566548
6-[5-[4,6-bis[5-(5-cyano-2-pyridinyl)thiophen-2-yl]-1,3,5-triazin-2-yl]thiophen-2-yl]pyridine-3-carbonitrile
CID 169082519
6-(2-chlorophenyl)pyridine-3-carbonitrile
CID 103579570
6-[4-[2-(4-pentylphenyl)ethyl]phenyl]pyridine-3-carbonitrile
CID 19842065

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile (CID 86649440) is 6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(-c3ccc(C#N)cn3)[se]2)cc1.
What is the InChIKey of 6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile?
The InChIKey is IPFFXLLXPRIHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9N3Se/c18-9-12-1-4-14(5-2-12)16-7-8-17(21-16)15-6-3-13(10-19)11-20-15/h1-8,11H.
What are the key properties of 6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile?
6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile has a molecular weight of 334.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-cyanophenyl)selenophen-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 86649440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).