2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(9H-fluoren-2-yl)ethanone

C22H20NO+ — CID 2063343

IUPAC2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(9H-fluoren-2-yl)ethanone
SMILESCc1ccc[n+](CC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1C
InChIInChI=1S/C22H20NO/c1-15-6-5-11-23(16(15)2)14-22(24)18-9-10-21-19(13-18)12-17-7-3-4-8-20(17)21/h3-11,13H,12,14H2,1-2H3/q+1
InChIKeyFFFDWDKHEGBBPW-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.05
Rot. Bonds3

About 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(9H-fluoren-2-yl)ethanone

2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(9H-fluoren-2-yl)ethanone (PubChem CID 2063343) has the molecular formula C22H20NO+ and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(9H-fluoren-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(9H-fluoren-2-yl)ethanone
PubChem CID2063343
Molecular FormulaC22H20NO+
Molecular Weight314.41 g/mol
Exact Mass314.15
IUPAC Name2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(9H-fluoren-2-yl)ethanone
SMILESCc1ccc[n+](CC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1C
InChIInChI=1S/C22H20NO/c1-15-6-5-11-23(16(15)2)14-22(24)18-9-10-21-19(13-18)12-17-7-3-4-8-20(17)21/h3-11,13H,12,14H2,1-2H3/q+1
InChIKeyFFFDWDKHEGBBPW-UHFFFAOYSA-N
XLogP4.05
TPSA20.95 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.05
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 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(9H-fluoren-2-yl)ethanone?
The IUPAC name of 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(9H-fluoren-2-yl)ethanone (CID 2063343) is 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(9H-fluoren-2-yl)ethanone.
What is the SMILES notation for 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(9H-fluoren-2-yl)ethanone?
The canonical SMILES for 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(9H-fluoren-2-yl)ethanone is Cc1ccc[n+](CC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1C.
What is the InChIKey of 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(9H-fluoren-2-yl)ethanone?
The InChIKey is FFFDWDKHEGBBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20NO/c1-15-6-5-11-23(16(15)2)14-22(24)18-9-10-21-19(13-18)12-17-7-3-4-8-20(17)21/h3-11,13H,12,14H2,1-2H3/q+1.
What are the key properties of 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(9H-fluoren-2-yl)ethanone?
2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(9H-fluoren-2-yl)ethanone has a molecular weight of 314.41 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(9H-fluoren-2-yl)ethanone is sourced from PubChem (CID 2063343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).