5-(4-fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium

C25H19FNO+ — CID 123895174

IUPAC5-(4-fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
SMILESCc1ccc2c(oc3ccccc32)c1-c1ccc(-c2ccc(F)cc2)c[n+]1C
InChIInChI=1S/C25H19FNO/c1-16-7-13-21-20-5-3-4-6-23(20)28-25(21)24(16)22-14-10-18(15-27(22)2)17-8-11-19(26)12-9-17/h3-15H,1-2H3/q+1
InChIKeyKAUWHGMCZJUWNM-UHFFFAOYSA-N
MW368.43 g/mol
LogP6.19
Rot. Bonds2

About 5-(4-fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium

5-(4-fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium (PubChem CID 123895174) has the molecular formula C25H19FNO+ and a molecular weight of 368.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
PubChem CID123895174
Molecular FormulaC25H19FNO+
Molecular Weight368.43 g/mol
Exact Mass368.14
IUPAC Name5-(4-fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
SMILESCc1ccc2c(oc3ccccc32)c1-c1ccc(-c2ccc(F)cc2)c[n+]1C
InChIInChI=1S/C25H19FNO/c1-16-7-13-21-20-5-3-4-6-23(20)28-25(21)24(16)22-14-10-18(15-27(22)2)17-8-11-19(26)12-9-17/h3-15H,1-2H3/q+1
InChIKeyKAUWHGMCZJUWNM-UHFFFAOYSA-N
XLogP6.19
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 56.19
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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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium?
The IUPAC name of 5-(4-fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium (CID 123895174) is 5-(4-fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium.
What is the SMILES notation for 5-(4-fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium?
The canonical SMILES for 5-(4-fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium is Cc1ccc2c(oc3ccccc32)c1-c1ccc(-c2ccc(F)cc2)c[n+]1C.
What is the InChIKey of 5-(4-fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium?
The InChIKey is KAUWHGMCZJUWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FNO/c1-16-7-13-21-20-5-3-4-6-23(20)28-25(21)24(16)22-14-10-18(15-27(22)2)17-8-11-19(26)12-9-17/h3-15H,1-2H3/q+1.
What are the key properties of 5-(4-fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium?
5-(4-fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium has a molecular weight of 368.43 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium is sourced from PubChem (CID 123895174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).