2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide

C19H19BrNO+ — CID 126959105

IUPAC2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide
SMILESBr.Cc1cc(C)c[n+](CC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C19H18NO.BrH/c1-14-10-15(2)12-20(11-14)13-19(21)18-9-5-7-16-6-3-4-8-17(16)18;/h3-12H,13H2,1-2H3;1H/q+1;
InChIKeyZUUGPDSDEAFHDO-UHFFFAOYSA-N
MW357.27 g/mol
LogP4.20
Rot. Bonds3

About 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide

2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide (PubChem CID 126959105) has the molecular formula C19H19BrNO+ and a molecular weight of 357.27 g/mol. Its IUPAC name is 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide.

Molecular Properties

Compound Name2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide
PubChem CID126959105
Molecular FormulaC19H19BrNO+
Molecular Weight357.27 g/mol
Exact Mass356.06
IUPAC Name2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide
SMILESBr.Cc1cc(C)c[n+](CC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C19H18NO.BrH/c1-14-10-15(2)12-20(11-14)13-19(21)18-9-5-7-16-6-3-4-8-17(16)18;/h3-12H,13H2,1-2H3;1H/q+1;
InChIKeyZUUGPDSDEAFHDO-UHFFFAOYSA-N
XLogP4.20
TPSA20.95 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 54.20
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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Related Compounds

2-(3-methylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone bromide
CID 44723833
1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone
CID 4142720
2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone
CID 5154725
2-[3-[2-(dimethylamino)acetyl]pyridin-1-ium-1-yl]-1-naphthalen-1-ylethanone bromide
CID 170895833
1-naphthalen-1-yl-2-(4-naphthalen-1-ylpyrimidin-1-ium-1-yl)ethanone;hydrobromide
CID 126958459
4-methyl-1-naphthalen-1-ylpent-4-en-1-one
CID 114473529
dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium
CID 58905973
1-naphthalen-1-yldodecan-1-one
CID 3424169
3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 19872190
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylpropan-1-one
CID 174507972
3-naphthalen-1-yl-3-oxopropanoate
CID 22261669

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide?
The IUPAC name of 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide (CID 126959105) is 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide.
What is the SMILES notation for 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide?
The canonical SMILES for 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide is Br.Cc1cc(C)c[n+](CC(=O)c2cccc3ccccc23)c1.
What is the InChIKey of 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide?
The InChIKey is ZUUGPDSDEAFHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18NO.BrH/c1-14-10-15(2)12-20(11-14)13-19(21)18-9-5-7-16-6-3-4-8-17(16)18;/h3-12H,13H2,1-2H3;1H/q+1;.
What are the key properties of 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide?
2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide has a molecular weight of 357.27 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide is sourced from PubChem (CID 126959105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).