4-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzoselenophene-3-carbonitrile

C20H14FN2Se+ — CID 170530576

IUPAC4-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzoselenophene-3-carbonitrile
SMILESCc1ccc2c([se]c3c(F)c(C#N)ccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C20H14FN2Se/c1-12-6-8-14-15-9-7-13(11-22)18(21)20(15)24-19(14)17(12)16-5-3-4-10-23(16)2/h3-10H,1-2H3/q+1
InChIKeyAFPKXOAHYSYILS-UHFFFAOYSA-N
MW380.30 g/mol
LogP3.86
Rot. Bonds1

About 4-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzoselenophene-3-carbonitrile

4-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzoselenophene-3-carbonitrile (PubChem CID 170530576) has the molecular formula C20H14FN2Se+ and a molecular weight of 380.30 g/mol. Its IUPAC name is 4-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzoselenophene-3-carbonitrile.

Molecular Properties

Compound Name4-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzoselenophene-3-carbonitrile
PubChem CID170530576
Molecular FormulaC20H14FN2Se+
Molecular Weight380.30 g/mol
Exact Mass381.03
IUPAC Name4-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzoselenophene-3-carbonitrile
SMILESCc1ccc2c([se]c3c(F)c(C#N)ccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C20H14FN2Se/c1-12-6-8-14-15-9-7-13(11-22)18(21)20(15)24-19(14)17(12)16-5-3-4-10-23(16)2/h3-10H,1-2H3/q+1
InChIKeyAFPKXOAHYSYILS-UHFFFAOYSA-N
XLogP3.86
TPSA27.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzoselenophene-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

2-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzothiophene-3-carbonitrile
CID 170252016
2-(7-isocyano-3,6-dimethyldibenzoselenophen-4-yl)-1-methylpyridin-1-ium
CID 154616221
2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzothiophene-3-carbonitrile
CID 170252001
4-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 170250705
7,9,9-trimethyl-8-(1-methylpyridin-1-ium-2-yl)-1-phenylfluorene-2-carbonitrile
CID 167365822
3,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-carbonitrile
CID 158413587
3,4,7-trimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile
CID 154615534
2,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 170251019
7-methyl-1-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-carbonitrile
CID 170252998
7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzothiophene-3-carbonitrile
CID 170251973
2-(8-isocyano-3-methyldibenzoselenophen-4-yl)-1-methylpyridin-1-ium
CID 154615193
4-(1,1-dideuterio-2-methylpropyl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile
CID 154616164

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzoselenophene-3-carbonitrile?
The IUPAC name of 4-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzoselenophene-3-carbonitrile (CID 170530576) is 4-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzoselenophene-3-carbonitrile.
What is the SMILES notation for 4-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzoselenophene-3-carbonitrile?
The canonical SMILES for 4-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzoselenophene-3-carbonitrile is Cc1ccc2c([se]c3c(F)c(C#N)ccc32)c1-c1cccc[n+]1C.
What is the InChIKey of 4-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzoselenophene-3-carbonitrile?
The InChIKey is AFPKXOAHYSYILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN2Se/c1-12-6-8-14-15-9-7-13(11-22)18(21)20(15)24-19(14)17(12)16-5-3-4-10-23(16)2/h3-10H,1-2H3/q+1.
What are the key properties of 4-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzoselenophene-3-carbonitrile?
4-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzoselenophene-3-carbonitrile has a molecular weight of 380.30 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzoselenophene-3-carbonitrile is sourced from PubChem (CID 170530576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).