3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium

C20H15FN+ — CID 139474801

IUPAC3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium
SMILESC[n+]1cc(F)cc(-c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C20H15FN/c1-22-12-16(11-17(21)13-22)20-18-8-4-2-6-14(18)10-15-7-3-5-9-19(15)20/h2-13H,1H3/q+1
InChIKeyNGRORIZGGTYKSK-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.62
Rot. Bonds1

About 3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium

3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium (PubChem CID 139474801) has the molecular formula C20H15FN+ and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium.

Molecular Properties

Compound Name3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium
PubChem CID139474801
Molecular FormulaC20H15FN+
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium
SMILESC[n+]1cc(F)cc(-c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C20H15FN/c1-22-12-16(11-17(21)13-22)20-18-8-4-2-6-14(18)10-15-7-3-5-9-19(15)20/h2-13H,1H3/q+1
InChIKeyNGRORIZGGTYKSK-UHFFFAOYSA-N
XLogP4.62
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(3-anthracen-9-yl-5-fluorophenyl)anthracene
CID 122597790
4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane
CID 153340780
2-anthracen-9-yl-7-(4-fluorophenyl)pyrene
CID 167155067
CID 88960291
CID 88960291
9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene
CID 102497816
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
9-anthracen-9-ylanthracene;toluene
CID 86148014
acetonitrile;9-anthracen-9-ylanthracene
CID 71362371
3-anthracen-9-ylquinoline
CID 170654314
1-fluoro-3-(3-fluorophenyl)naphthalene
CID 46313976
2-(4-anthracen-9-ylphenyl)triphenylene
CID 165006597
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353

Frequently Asked Questions

What is the IUPAC name of 3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium?
The IUPAC name of 3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium (CID 139474801) is 3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium.
What is the SMILES notation for 3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium?
The canonical SMILES for 3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium is C[n+]1cc(F)cc(-c2c3ccccc3cc3ccccc23)c1.
What is the InChIKey of 3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium?
The InChIKey is NGRORIZGGTYKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN/c1-22-12-16(11-17(21)13-22)20-18-8-4-2-6-14(18)10-15-7-3-5-9-19(15)20/h2-13H,1H3/q+1.
What are the key properties of 3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium?
3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium has a molecular weight of 288.35 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-9-yl-5-fluoro-1-methylpyridin-1-ium is sourced from PubChem (CID 139474801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).