8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile

C20H15N2O+ — CID 154615290

IUPAC8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile
SMILESCc1cc2c(cc1-c1cccc[n+]1C)oc1cccc(C#N)c12
InChIInChI=1S/C20H15N2O/c1-13-10-16-19(11-15(13)17-7-3-4-9-22(17)2)23-18-8-5-6-14(12-21)20(16)18/h3-11H,1-2H3/q+1
InChIKeyPKLCHOHZCOOOCY-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.26
Rot. Bonds1

About 8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile

8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile (PubChem CID 154615290) has the molecular formula C20H15N2O+ and a molecular weight of 299.35 g/mol. Its IUPAC name is 8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile.

Molecular Properties

Compound Name8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile
PubChem CID154615290
Molecular FormulaC20H15N2O+
Molecular Weight299.35 g/mol
Exact Mass299.12
IUPAC Name8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile
SMILESCc1cc2c(cc1-c1cccc[n+]1C)oc1cccc(C#N)c12
InChIInChI=1S/C20H15N2O/c1-13-10-16-19(11-15(13)17-7-3-4-9-22(17)2)23-18-8-5-6-14(12-21)20(16)18/h3-11H,1-2H3/q+1
InChIKeyPKLCHOHZCOOOCY-UHFFFAOYSA-N
XLogP4.26
TPSA40.81 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile
CID 170251327
7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-propan-2-yldibenzofuran-2-carbonitrile
CID 170252514
2,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 170251019
1-methyl-2-(2-methyl-[1]benzofuro[2,3-b][1]benzofuran-3-yl)pyridin-1-ium
CID 140827979
3-cyclohexyl-8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile
CID 154615185
4-fluoro-7-methyl-8-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 170250705
6-methyl-7-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine-3-carbonitrile
CID 154615883
7-(1,4-dimethylpyridin-1-ium-2-yl)-8-methyldibenzofuran-4-carbonitrile
CID 170251195
7,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-carbonitrile
CID 170251127
4-cyclohexyl-7-methyl-8-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 170252771
2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium
CID 171746810
8-methyl-3-(2-methylpropyl)-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-carbonitrile
CID 170252600

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile?
The IUPAC name of 8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile (CID 154615290) is 8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile.
What is the SMILES notation for 8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile?
The canonical SMILES for 8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile is Cc1cc2c(cc1-c1cccc[n+]1C)oc1cccc(C#N)c12.
What is the InChIKey of 8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile?
The InChIKey is PKLCHOHZCOOOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N2O/c1-13-10-16-19(11-15(13)17-7-3-4-9-22(17)2)23-18-8-5-6-14(12-21)20(16)18/h3-11H,1-2H3/q+1.
What are the key properties of 8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile?
8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile has a molecular weight of 299.35 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile is sourced from PubChem (CID 154615290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).