4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane

C22H21FN+ — CID 153340780

IUPAC4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane
SMILESCC.C[n+]1ccc(-c2c3ccccc3cc3ccccc23)cc1F
InChIInChI=1S/C20H15FN.C2H6/c1-22-11-10-16(13-19(22)21)20-17-8-4-2-6-14(17)12-15-7-3-5-9-18(15)20;1-2/h2-13H,1H3;1-2H3/q+1;
InChIKeyONINGGKEFRIPIM-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.65
Rot. Bonds1

About 4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane

4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane (PubChem CID 153340780) has the molecular formula C22H21FN+ and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane.

Molecular Properties

Compound Name4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane
PubChem CID153340780
Molecular FormulaC22H21FN+
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane
SMILESCC.C[n+]1ccc(-c2c3ccccc3cc3ccccc23)cc1F
InChIInChI=1S/C20H15FN.C2H6/c1-22-11-10-16(13-19(22)21)20-17-8-4-2-6-14(17)12-15-7-3-5-9-18(15)20;1-2/h2-13H,1H3;1-2H3/q+1;
InChIKeyONINGGKEFRIPIM-UHFFFAOYSA-N
XLogP5.65
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide
CID 155433472
4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide
CID 154926382
3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium
CID 139474801
4-(2-anthracen-9-ylethynyl)-2-fluoro-1-methylpyridin-1-ium
CID 153340776
9-(3-anthracen-9-yl-5-fluorophenyl)anthracene
CID 122597790
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
2,4-difluoro-1-methylpyridin-1-ium
CID 169211033
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
tris(3-anthracen-9-ylphenyl)-methylphosphanium
CID 139257749
4-anthracen-9-yl-2-methylphenol
CID 156873853
3-anthracen-9-ylphenol
CID 91210590
N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane
CID 142283277

Frequently Asked Questions

What is the IUPAC name of 4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane?
The IUPAC name of 4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane (CID 153340780) is 4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane.
What is the SMILES notation for 4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane?
The canonical SMILES for 4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane is CC.C[n+]1ccc(-c2c3ccccc3cc3ccccc23)cc1F.
What is the InChIKey of 4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane?
The InChIKey is ONINGGKEFRIPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN.C2H6/c1-22-11-10-16(13-19(22)21)20-17-8-4-2-6-14(17)12-15-7-3-5-9-18(15)20;1-2/h2-13H,1H3;1-2H3/q+1;.
What are the key properties of 4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane?
4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane has a molecular weight of 318.42 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane is sourced from PubChem (CID 153340780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).