1-methyl-2-(4-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-2-(4-methylthiophen-3-yl)pyridin-1-ium

C71H71N6OS+5 — CID 158007672

About 1-methyl-2-(4-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-2-(4-methylthiophen-3-yl)pyridin-1-ium

1-methyl-2-(4-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-2-(4-methylthiophen-3-yl)pyridin-1-ium (PubChem CID 158007672) has the molecular formula C71H71N6OS+5 and a molecular weight of 1056.46 g/mol. Its IUPAC name is 1-methyl-2-(4-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-2-(4-methylthiophen-3-yl)pyridin-1-ium.

Molecular Properties

• Compound Name: 1-methyl-2-(4-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-2-(4-methylthiophen-3-yl)pyridin-1-ium
• PubChem CID: 158007672
• Molecular Formula: C71H71N6OS+5
• Molecular Weight: 1056.46 g/mol
• Exact Mass: 1055.54
• IUPAC Name: 1-methyl-2-(4-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-2-(4-methylthiophen-3-yl)pyridin-1-ium
• SMILES: Cc1c(-c2cccc[n+]2C)ccc2ccccc12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1ccccc1-c1cccc[n+]1C.Cc1cocc1-c1cccc[n+]1C.Cc1cscc1-c1cccc[n+]1C
• InChI: InChI=1S/C19H17N2.C17H16N.C13H14N.C11H12NO.C11H12NS/c1-14-8-7-10-16-15-9-3-4-11-17(15)21(19(14)16)18-12-5-6-13-20(18)2;1-13-15-8-4-3-7-14(15)10-11-16(13)17-9-5-6-12-18(17)2;1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2;2*1-9-7-13-8-10(9)11-5-3-4-6-12(11)2/h3-13H,1-2H3;3-12H,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3/q5*+1
• InChIKey: MXMJXHZHRPSZKG-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 37.47 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1056.46
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-2-(4-methylthiophen-3-yl)pyridin-1-ium?

The IUPAC name of 1-methyl-2-(4-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-2-(4-methylthiophen-3-yl)pyridin-1-ium (CID 158007672) is 1-methyl-2-(4-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-2-(4-methylthiophen-3-yl)pyridin-1-ium.

What is the SMILES notation for 1-methyl-2-(4-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-2-(4-methylthiophen-3-yl)pyridin-1-ium?

The canonical SMILES for 1-methyl-2-(4-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-2-(4-methylthiophen-3-yl)pyridin-1-ium is Cc1c(-c2cccc[n+]2C)ccc2ccccc12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1ccccc1-c1cccc[n+]1C.Cc1cocc1-c1cccc[n+]1C.Cc1cscc1-c1cccc[n+]1C.

What is the InChIKey of 1-methyl-2-(4-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-2-(4-methylthiophen-3-yl)pyridin-1-ium?

The InChIKey is MXMJXHZHRPSZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N2.C17H16N.C13H14N.C11H12NO.C11H12NS/c1-14-8-7-10-16-15-9-3-4-11-17(15)21(19(14)16)18-12-5-6-13-20(18)2;1-13-15-8-4-3-7-14(15)10-11-16(13)17-9-5-6-12-18(17)2;1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)2;2*1-9-7-13-8-10(9)11-5-3-4-6-12(11)2/h3-13H,1-2H3;3-12H,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3/q5*+1.

What are the key properties of 1-methyl-2-(4-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-2-(4-methylthiophen-3-yl)pyridin-1-ium?

1-methyl-2-(4-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-2-(4-methylthiophen-3-yl)pyridin-1-ium has a molecular weight of 1056.46 g/mol, XLogP of 14.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-(4-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;1-methyl-2-(4-methylthiophen-3-yl)pyridin-1-ium is sourced from PubChem (CID 158007672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).