4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(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-2-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

C133H164Cl2N27O3+9 — CID 159543639

IUPAC4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(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-2-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
SMILESC.C.C.C.C.C.CN(N=Cc1cc[n+](C)cc1)c1ccccc1.CN(N=Cc1cccc[n+]1C)c1ccc(Cl)cc1.CN(N=Cc1cccc[n+]1C)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.C[n+]1ccccc1C=NN1CCc2ccccc21.Cn1c2c(/N=N/c3ccc(Cl)cc3)c(O)ccc2c[n+]1C
InChIInChI=1S/C15H13ClN4O.C15H18N3O.C15H16N3.C14H15ClN3.2C14H16N3.2C14H14N2.C12H15N4O.6CH4/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;1-17-10-5-4-7-14(17)12-16-18-11-9-13-6-2-3-8-15(13)18;1-17-10-4-3-5-14(17)11-16-18(2)13-8-6-12(15)7-9-13;1-16-11-7-6-10-14(16)12-15-17(2)13-8-4-3-5-9-13;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;2-8,10,12H,9,11H2,1H3;3-11H,1-2H3;2*3-12H,1-2H3;2*2-11,15H,1H3;4-9H,1-3H3;6*1H4/q;5*+1;;;+1;;;;;;/p+3/b18-17+;;;;;;;;;;;;;;
InChIKeyMENHOOHFVZXKMB-BUSSZCQESA-Q
MW2259.87 g/mol
LogP24.89
Rot. Bonds24

About 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(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-2-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

4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(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-2-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 159543639) has the molecular formula C133H164Cl2N27O3+9 and a molecular weight of 2259.87 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(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-2-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 Name4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(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-2-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 CID159543639
Molecular FormulaC133H164Cl2N27O3+9
Molecular Weight2259.87 g/mol
Exact Mass2257.28
IUPAC Name4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(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-2-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
SMILESC.C.C.C.C.C.CN(N=Cc1cc[n+](C)cc1)c1ccccc1.CN(N=Cc1cccc[n+]1C)c1ccc(Cl)cc1.CN(N=Cc1cccc[n+]1C)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.C[n+]1ccccc1C=NN1CCc2ccccc21.Cn1c2c(/N=N/c3ccc(Cl)cc3)c(O)ccc2c[n+]1C
InChIInChI=1S/C15H13ClN4O.C15H18N3O.C15H16N3.C14H15ClN3.2C14H16N3.2C14H14N2.C12H15N4O.6CH4/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;1-17-10-5-4-7-14(17)12-16-18-11-9-13-6-2-3-8-15(13)18;1-17-10-4-3-5-14(17)11-16-18(2)13-8-6-12(15)7-9-13;1-16-11-7-6-10-14(16)12-15-17(2)13-8-4-3-5-9-13;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;2-8,10,12H,9,11H2,1H3;3-11H,1-2H3;2*3-12H,1-2H3;2*2-11,15H,1H3;4-9H,1-3H3;6*1H4/q;5*+1;;;+1;;;;;;/p+3/b18-17+;;;;;;;;;;;;;;
InChIKeyMENHOOHFVZXKMB-BUSSZCQESA-Q
XLogP24.89
TPSA262.95 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002259.87
LogP ≤ 524.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

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'}

Analyze 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(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-2-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(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-2-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 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(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-2-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 159543639) is 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(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-2-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 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(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-2-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 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(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-2-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.C.CN(N=Cc1cc[n+](C)cc1)c1ccccc1.CN(N=Cc1cccc[n+]1C)c1ccc(Cl)cc1.CN(N=Cc1cccc[n+]1C)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.C[n+]1ccccc1C=NN1CCc2ccccc21.Cn1c2c(/N=N/c3ccc(Cl)cc3)c(O)ccc2c[n+]1C.
What is the InChIKey of 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(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-2-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 MENHOOHFVZXKMB-BUSSZCQESA-Q. The full InChI is InChI=1S/C15H13ClN4O.C15H18N3O.C15H16N3.C14H15ClN3.2C14H16N3.2C14H14N2.C12H15N4O.6CH4/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;1-17-10-5-4-7-14(17)12-16-18-11-9-13-6-2-3-8-15(13)18;1-17-10-4-3-5-14(17)11-16-18(2)13-8-6-12(15)7-9-13;1-16-11-7-6-10-14(16)12-15-17(2)13-8-4-3-5-9-13;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;2-8,10,12H,9,11H2,1H3;3-11H,1-2H3;2*3-12H,1-2H3;2*2-11,15H,1H3;4-9H,1-3H3;6*1H4/q;5*+1;;;+1;;;;;;/p+3/b18-17+;;;;;;;;;;;;;;.
What are the key properties of 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(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-2-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?
4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(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-2-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 2259.87 g/mol, XLogP of 24.89, 24 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(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-2-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 159543639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).