5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium

C19H14F2NO+ — CID 159857293

IUPAC5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
SMILESCc1ccc2c(oc3cc(F)ccc32)c1-c1ccc(F)c[n+]1C
InChIInChI=1S/C19H14F2NO/c1-11-3-6-15-14-7-4-12(20)9-17(14)23-19(15)18(11)16-8-5-13(21)10-22(16)2/h3-10H,1-2H3/q+1
InChIKeyJZCZTROJSJFUGY-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.66
Rot. Bonds1

About 5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium

5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium (PubChem CID 159857293) has the molecular formula C19H14F2NO+ and a molecular weight of 310.32 g/mol. Its IUPAC name is 5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium.

Molecular Properties

Compound Name5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
PubChem CID159857293
Molecular FormulaC19H14F2NO+
Molecular Weight310.32 g/mol
Exact Mass310.10
IUPAC Name5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
SMILESCc1ccc2c(oc3cc(F)ccc32)c1-c1ccc(F)c[n+]1C
InChIInChI=1S/C19H14F2NO/c1-11-3-6-15-14-7-4-12(20)9-17(14)23-19(15)18(11)16-8-5-13(21)10-22(16)2/h3-10H,1-2H3/q+1
InChIKeyJZCZTROJSJFUGY-UHFFFAOYSA-N
XLogP4.66
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.66
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

5-fluoro-2-(8-isocyano-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 164778697
4-dibenzofuran-3-yl-6-(5-fluoro-1-methylpyridin-1-ium-2-yl)-7-methyldibenzofuran-3-carbonitrile
CID 169282673
5-fluoro-2-(6-isocyano-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 164778813
2-(6-deuterio-7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-4,5-bis(trideuteriomethyl)pyridin-1-ium
CID 177273062
2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium
CID 164797279
2-(7-fluoro-3,9-dimethyldibenzofuran-4-yl)-1,4,5-trimethylpyridin-1-ium
CID 153464728
2-(3,7-dimethyldibenzofuran-4-yl)-1-methyl-5-(2-methylpropyl)pyridin-1-ium
CID 164797930
1-methyl-2-(7-methyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)-5-(trideuteriomethyl)pyridin-1-ium
CID 153418212
[4-[4-[2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium-4-yl]-3-(trideuteriomethyl)phenyl]phenyl]-trimethylsilane
CID 171724062
2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-5-(2-methylpropyl)quinolin-1-ium
CID 153464767
2-fluoro-8-(5-fluoro-1-methylpyridin-1-ium-2-yl)-7-methyl-3-(3-phenylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 169282941
2-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;2-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methyl-5-(2-methylphenyl)pyridin-1-ium;2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-5-(2-methylphenyl)pyridin-1-ium
CID 158757857

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium?
The IUPAC name of 5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium (CID 159857293) is 5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium.
What is the SMILES notation for 5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium?
The canonical SMILES for 5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium is Cc1ccc2c(oc3cc(F)ccc32)c1-c1ccc(F)c[n+]1C.
What is the InChIKey of 5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium?
The InChIKey is JZCZTROJSJFUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2NO/c1-11-3-6-15-14-7-4-12(20)9-17(14)23-19(15)18(11)16-8-5-13(21)10-22(16)2/h3-10H,1-2H3/q+1.
What are the key properties of 5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium?
5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium has a molecular weight of 310.32 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 5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium is sourced from PubChem (CID 159857293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).