4-fluoro-3-(3-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyridin-1-ium

C19H16F2N+ — CID 23345711

IUPAC4-fluoro-3-(3-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyridin-1-ium
SMILESCc1ccc(-c2c[n+](C)cc(-c3cccc(F)c3)c2F)cc1
InChIInChI=1S/C19H16F2N/c1-13-6-8-14(9-7-13)17-11-22(2)12-18(19(17)21)15-4-3-5-16(20)10-15/h3-12H,1-2H3/q+1
InChIKeyCUCBPQJETMEJPO-UHFFFAOYSA-N
MW296.34 g/mol
LogP4.43
Rot. Bonds2

About 4-fluoro-3-(3-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyridin-1-ium

4-fluoro-3-(3-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyridin-1-ium (PubChem CID 23345711) has the molecular formula C19H16F2N+ and a molecular weight of 296.34 g/mol. Its IUPAC name is 4-fluoro-3-(3-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name4-fluoro-3-(3-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyridin-1-ium
PubChem CID23345711
Molecular FormulaC19H16F2N+
Molecular Weight296.34 g/mol
Exact Mass296.12
IUPAC Name4-fluoro-3-(3-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyridin-1-ium
SMILESCc1ccc(-c2c[n+](C)cc(-c3cccc(F)c3)c2F)cc1
InChIInChI=1S/C19H16F2N/c1-13-6-8-14(9-7-13)17-11-22(2)12-18(19(17)21)15-4-3-5-16(20)10-15/h3-12H,1-2H3/q+1
InChIKeyCUCBPQJETMEJPO-UHFFFAOYSA-N
XLogP4.43
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyridin-1-ium?
The IUPAC name of 4-fluoro-3-(3-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyridin-1-ium (CID 23345711) is 4-fluoro-3-(3-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 4-fluoro-3-(3-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyridin-1-ium?
The canonical SMILES for 4-fluoro-3-(3-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyridin-1-ium is Cc1ccc(-c2c[n+](C)cc(-c3cccc(F)c3)c2F)cc1.
What is the InChIKey of 4-fluoro-3-(3-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyridin-1-ium?
The InChIKey is CUCBPQJETMEJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N/c1-13-6-8-14(9-7-13)17-11-22(2)12-18(19(17)21)15-4-3-5-16(20)10-15/h3-12H,1-2H3/q+1.
What are the key properties of 4-fluoro-3-(3-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyridin-1-ium?
4-fluoro-3-(3-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyridin-1-ium has a molecular weight of 296.34 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 23345711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).