2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine

C18H9FN2Se — CID 154615297

IUPAC2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine
SMILES[C-]#[N+]c1ccc2c([se]c3c(-c4ccccn4)cccc32)c1F
InChIInChI=1S/C18H9FN2Se/c1-20-15-9-8-12-11-5-4-6-13(14-7-2-3-10-21-14)17(11)22-18(12)16(15)19/h2-10H
InChIKeyXOGWNYMPIDKKEF-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.80
Rot. Bonds1

About 2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine

2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine (PubChem CID 154615297) has the molecular formula C18H9FN2Se and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine.

Molecular Properties

Compound Name2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine
PubChem CID154615297
Molecular FormulaC18H9FN2Se
Molecular Weight351.24 g/mol
Exact Mass351.99
IUPAC Name2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine
SMILES[C-]#[N+]c1ccc2c([se]c3c(-c4ccccn4)cccc32)c1F
InChIInChI=1S/C18H9FN2Se/c1-20-15-9-8-12-11-5-4-6-13(14-7-2-3-10-21-14)17(11)22-18(12)16(15)19/h2-10H
InChIKeyXOGWNYMPIDKKEF-UHFFFAOYSA-N
XLogP4.80
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.80
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-isocyanodibenzoselenophen-4-yl)pyridine
CID 154616215
2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine
CID 154616033
2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine
CID 153319439
2-(2-fluoro-3-methylphenyl)pyridine
CID 175536337
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-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine
CID 154616018
2-fluoro-3-pyridin-2-ylaniline
CID 176913716
4-isocyano-6-pyridin-2-ylbenzene-1,3-dicarbonitrile
CID 168823207
2-(7-fluoro-8-isocyano-9H-fluoren-1-yl)pyridine
CID 157059916
2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine
CID 89347361
2-(8-isocyanodibenzothiophen-4-yl)pyridine
CID 154616023
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

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine?
The IUPAC name of 2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine (CID 154615297) is 2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine.
What is the SMILES notation for 2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine?
The canonical SMILES for 2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine is [C-]#[N+]c1ccc2c([se]c3c(-c4ccccn4)cccc32)c1F.
What is the InChIKey of 2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine?
The InChIKey is XOGWNYMPIDKKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9FN2Se/c1-20-15-9-8-12-11-5-4-6-13(14-7-2-3-10-21-14)17(11)22-18(12)16(15)19/h2-10H.
What are the key properties of 2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine?
2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine has a molecular weight of 351.24 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-7-isocyanodibenzoselenophen-4-yl)pyridine is sourced from PubChem (CID 154615297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).