2-(6-isocyanodibenzoselenophen-4-yl)pyridine

C18H10N2Se — CID 154616215

IUPAC2-(6-isocyanodibenzoselenophen-4-yl)pyridine
SMILES[C-]#[N+]c1cccc2c1[se]c1c(-c3ccccn3)cccc12
InChIInChI=1S/C18H10N2Se/c1-19-16-10-5-7-13-12-6-4-8-14(17(12)21-18(13)16)15-9-2-3-11-20-15/h2-11H
InChIKeyMZGNGOQVQKMZCA-UHFFFAOYSA-N
MW333.25 g/mol
LogP4.66
Rot. Bonds1

About 2-(6-isocyanodibenzoselenophen-4-yl)pyridine

2-(6-isocyanodibenzoselenophen-4-yl)pyridine (PubChem CID 154616215) has the molecular formula C18H10N2Se and a molecular weight of 333.25 g/mol. Its IUPAC name is 2-(6-isocyanodibenzoselenophen-4-yl)pyridine.

Molecular Properties

Compound Name2-(6-isocyanodibenzoselenophen-4-yl)pyridine
PubChem CID154616215
Molecular FormulaC18H10N2Se
Molecular Weight333.25 g/mol
Exact Mass334.00
IUPAC Name2-(6-isocyanodibenzoselenophen-4-yl)pyridine
SMILES[C-]#[N+]c1cccc2c1[se]c1c(-c3ccccn3)cccc12
InChIInChI=1S/C18H10N2Se/c1-19-16-10-5-7-13-12-6-4-8-14(17(12)21-18(13)16)15-9-2-3-11-20-15/h2-11H
InChIKeyMZGNGOQVQKMZCA-UHFFFAOYSA-N
XLogP4.66
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine
CID 154615297
2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine
CID 154616018
2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine
CID 154616033
2-(8-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine;2-(6-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(7-isocyanodibenzoselenophen-4-yl)-5-methylpyridine;2-(6-isocyanodibenzoselenophen-4-yl)-4-phenylpyridine;2-(8-isocyano-9H-fluoren-1-yl)pyridine
CID 162149905
2-[16-(2-isocyanophenyl)-25-pyridin-2-yl-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaenyl]benzonitrile
CID 123608803
4-isocyano-6-pyridin-2-ylbenzene-1,3-dicarbonitrile
CID 168823207
2-(8-isocyanodibenzothiophen-4-yl)pyridine
CID 154616023
2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine
CID 153319439
platinum;1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)carbazol-9-ide;yttrium
CID 164788746
cesium 2,6-dipyridin-2-ylphenolate
CID 59522981
2,3-dipyridin-2-ylpyridine;platinum
CID 87064106
2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine
CID 89347361

Frequently Asked Questions

What is the IUPAC name of 2-(6-isocyanodibenzoselenophen-4-yl)pyridine?
The IUPAC name of 2-(6-isocyanodibenzoselenophen-4-yl)pyridine (CID 154616215) is 2-(6-isocyanodibenzoselenophen-4-yl)pyridine.
What is the SMILES notation for 2-(6-isocyanodibenzoselenophen-4-yl)pyridine?
The canonical SMILES for 2-(6-isocyanodibenzoselenophen-4-yl)pyridine is [C-]#[N+]c1cccc2c1[se]c1c(-c3ccccn3)cccc12.
What is the InChIKey of 2-(6-isocyanodibenzoselenophen-4-yl)pyridine?
The InChIKey is MZGNGOQVQKMZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2Se/c1-19-16-10-5-7-13-12-6-4-8-14(17(12)21-18(13)16)15-9-2-3-11-20-15/h2-11H.
What are the key properties of 2-(6-isocyanodibenzoselenophen-4-yl)pyridine?
2-(6-isocyanodibenzoselenophen-4-yl)pyridine has a molecular weight of 333.25 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-isocyanodibenzoselenophen-4-yl)pyridine is sourced from PubChem (CID 154616215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).