2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium

C20H17FNO+ — CID 153003317

IUPAC2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium
SMILESCc1ccc2c(oc3c(C)c(F)ccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C20H17FNO/c1-12-7-8-15-14-9-10-16(21)13(2)19(14)23-20(15)18(12)17-6-4-5-11-22(17)3/h4-11H,1-3H3/q+1
InChIKeyIYJUYVXZQOBFIX-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.83
Rot. Bonds1

About 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium

2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium (PubChem CID 153003317) has the molecular formula C20H17FNO+ and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium
PubChem CID153003317
Molecular FormulaC20H17FNO+
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium
SMILESCc1ccc2c(oc3c(C)c(F)ccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C20H17FNO/c1-12-7-8-15-14-9-10-16(21)13(2)19(14)23-20(15)18(12)17-6-4-5-11-22(17)3/h4-11H,1-3H3/q+1
InChIKeyIYJUYVXZQOBFIX-UHFFFAOYSA-N
XLogP4.83
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[7-fluoro-3-methyl-6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849988
2-[7-fluoro-6-(1,1,2,2,3,3-hexamethylinden-4-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051562
2-(7-isocyano-3,6,8-trimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 154615361
2-(6-dibenzofuran-3-yl-7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 164849736
[4-[3-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]phenyl]-methyl-phenylborane
CID 166038418
2-[7-fluoro-6-(1,1,2,2,3,3,7-heptamethylinden-4-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051267
2-[7-fluoro-3-methyl-6-[3-methyl-4-(4-methylphenyl)phenyl]dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 167357440
2-[7-fluoro-3-methyl-6-[2-methyl-4-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 167365582
4,5-difluoro-9-[3-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]carbazole
CID 168794128
2-[6-[3-(2,2-dimethylpropyl)phenyl]-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166038288
2-[7-fluoro-3-methyl-6-(3-phenoxyphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166037673
2-(7-fluoro-3-methyl-6-pentylsulfanyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 166038212

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium?
The IUPAC name of 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium (CID 153003317) is 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium.
What is the SMILES notation for 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium?
The canonical SMILES for 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium is Cc1ccc2c(oc3c(C)c(F)ccc32)c1-c1cccc[n+]1C.
What is the InChIKey of 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium?
The InChIKey is IYJUYVXZQOBFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FNO/c1-12-7-8-15-14-9-10-16(21)13(2)19(14)23-20(15)18(12)17-6-4-5-11-22(17)3/h4-11H,1-3H3/q+1.
What are the key properties of 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium?
2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium has a molecular weight of 306.36 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium is sourced from PubChem (CID 153003317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).