7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline

C89H113ClN18O3+6 — CID 158119434

About 7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline

7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline (PubChem CID 158119434) has the molecular formula C89H113ClN18O3+6 and a molecular weight of 1518.46 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline.

Molecular Properties

• Compound Name: 7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline
• PubChem CID: 158119434
• Molecular Formula: C89H113ClN18O3+6
• Molecular Weight: 1518.46 g/mol
• Exact Mass: 1516.89
• IUPAC Name: 7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline
• SMILES: C.C.C.C.C.CN(N=Cc1cc[n+](C)cc1)c1ccccc1.COc1ccc(/N=N/c2n(C)cc[n+]2C)cc1.COc1ccc(N(C)N=Cc2cc[n+](C)cc2)cc1.C[n+]1ccc(C=Cc2ccc(N)cc2)cc1.C[n+]1ccccc1C=Cc1ccc(N)cc1.Cn1c2c(/N=N/c3ccc(Cl)cc3)c(O)ccc2c[n+]1C
• InChI: InChI=1S/C15H13ClN4O.C15H18N3O.C14H16N3.2C14H14N2.C12H15N4O.5CH4/c1-19-9-10-3-8-13(21)14(15(10)20(19)2)18-17-12-6-4-11(16)5-7-12;1-17-10-8-13(9-11-17)12-16-18(2)14-4-6-15(19-3)7-5-14;1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14;1-16-10-8-13(9-11-16)3-2-12-4-6-14(15)7-5-12;1-16-11-3-2-4-14(16)10-7-12-5-8-13(15)9-6-12;1-15-8-9-16(2)12(15)14-13-10-4-6-11(17-3)7-5-10;;;;;/h3-9H,1-2H3;4-12H,1-3H3;3-12H,1-2H3;2*2-11,15H,1H3;4-9H,1-3H3;5*1H4/q;2*+1;;;+1;;;;;/p+3/b18-17+
• InChIKey: FRKPANWYCYIECE-LCZGDFDKSA-Q
• XLogP: 17.73
• TPSA: 204.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1518.46
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline?

The IUPAC name of 7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline (CID 158119434) is 7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline.

What is the SMILES notation for 7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline?

The canonical SMILES for 7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline is C.C.C.C.C.CN(N=Cc1cc[n+](C)cc1)c1ccccc1.COc1ccc(/N=N/c2n(C)cc[n+]2C)cc1.COc1ccc(N(C)N=Cc2cc[n+](C)cc2)cc1.C[n+]1ccc(C=Cc2ccc(N)cc2)cc1.C[n+]1ccccc1C=Cc1ccc(N)cc1.Cn1c2c(/N=N/c3ccc(Cl)cc3)c(O)ccc2c[n+]1C.

What is the InChIKey of 7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline?

The InChIKey is FRKPANWYCYIECE-LCZGDFDKSA-Q. The full InChI is InChI=1S/C15H13ClN4O.C15H18N3O.C14H16N3.2C14H14N2.C12H15N4O.5CH4/c1-19-9-10-3-8-13(21)14(15(10)20(19)2)18-17-12-6-4-11(16)5-7-12;1-17-10-8-13(9-11-17)12-16-18(2)14-4-6-15(19-3)7-5-14;1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14;1-16-10-8-13(9-11-16)3-2-12-4-6-14(15)7-5-12;1-16-11-3-2-4-14(16)10-7-12-5-8-13(15)9-6-12;1-15-8-9-16(2)12(15)14-13-10-4-6-11(17-3)7-5-10;;;;;/h3-9H,1-2H3;4-12H,1-3H3;3-12H,1-2H3;2*2-11,15H,1H3;4-9H,1-3H3;5*1H4/q;2*+1;;;+1;;;;;/p+3/b18-17+;;;;;;;;;;.

What are the key properties of 7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline?

7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline has a molecular weight of 1518.46 g/mol, XLogP of 17.73, 16 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline is sourced from PubChem (CID 158119434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).