1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole

C21H19N2+ — CID 176737848

IUPAC1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole
SMILESCc1ccccc1-n1ccc2cccc(-c3cccc[n+]3C)c21
InChIInChI=1S/C21H19N2/c1-16-8-3-4-11-19(16)23-15-13-17-9-7-10-18(21(17)23)20-12-5-6-14-22(20)2/h3-15H,1-2H3/q+1
InChIKeyONOCUZOGRYJZRB-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.43
Rot. Bonds2

About 1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole

1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole (PubChem CID 176737848) has the molecular formula C21H19N2+ and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole.

Molecular Properties

Compound Name1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole
PubChem CID176737848
Molecular FormulaC21H19N2+
Molecular Weight299.40 g/mol
Exact Mass299.15
IUPAC Name1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole
SMILESCc1ccccc1-n1ccc2cccc(-c3cccc[n+]3C)c21
InChIInChI=1S/C21H19N2/c1-16-8-3-4-11-19(16)23-15-13-17-9-7-10-18(21(17)23)20-12-5-6-14-22(20)2/h3-15H,1-2H3/q+1
InChIKeyONOCUZOGRYJZRB-UHFFFAOYSA-N
XLogP4.43
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.43
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

1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium
CID 59522858
1-methyl-2-[2-methyl-3-(2H-pyridin-1-yl)phenyl]pyridin-1-ium
CID 170523863
3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine
CID 140839426
2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379
1-methyl-8-(2-methylphenyl)quinolin-1-ium
CID 176621990
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine
CID 140839461
7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole
CID 140889717
2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline
CID 140839568
1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium
CID 176645803
2-methyl-1-(2-methylphenyl)pyrazol-2-ium
CID 59016991
1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 58150990

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole?
The IUPAC name of 1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole (CID 176737848) is 1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole.
What is the SMILES notation for 1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole?
The canonical SMILES for 1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole is Cc1ccccc1-n1ccc2cccc(-c3cccc[n+]3C)c21.
What is the InChIKey of 1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole?
The InChIKey is ONOCUZOGRYJZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N2/c1-16-8-3-4-11-19(16)23-15-13-17-9-7-10-18(21(17)23)20-12-5-6-14-22(20)2/h3-15H,1-2H3/q+1.
What are the key properties of 1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole?
1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole has a molecular weight of 299.40 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole is sourced from PubChem (CID 176737848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).