1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;cobalt;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-dimethylindol-1-ium-2-yl]methylidene]-3,3-dimethylindole

C61H57CoF12N12O10+ — CID 159280339

About 1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;cobalt;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-dimethylindol-1-ium-2-yl]methylidene]-3,3-dimethylindole

1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;cobalt;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-dimethylindol-1-ium-2-yl]methylidene]-3,3-dimethylindole (PubChem CID 159280339) has the molecular formula C61H57CoF12N12O10+ and a molecular weight of 1405.11 g/mol. Its IUPAC name is 1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;cobalt;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-dimethylindol-1-ium-2-yl]methylidene]-3,3-dimethylindole.

Molecular Properties

• Compound Name: 1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;cobalt;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-dimethylindol-1-ium-2-yl]methylidene]-3,3-dimethylindole
• PubChem CID: 159280339
• Molecular Formula: C61H57CoF12N12O10+
• Molecular Weight: 1405.11 g/mol
• Exact Mass: 1404.35
• IUPAC Name: 1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;cobalt;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-dimethylindol-1-ium-2-yl]methylidene]-3,3-dimethylindole
• SMILES: CC1(C)C(=CC2=[N+](C(C(F)(F)F)C(F)(F)F)c3ccccc3C2(C)C)N(C(C(F)(F)F)C(F)(F)F)c2ccccc21.CCCCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.[C-]#[N+]c1c(C)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(O)n(CCCC)c1=O.[Co]
• InChI: InChI=1S/C27H23F12N2.2C17H17N5O5.Co/c1-22(2)14-9-5-7-11-16(14)40(20(24(28,29)30)25(31,32)33)18(22)13-19-23(3,4)15-10-6-8-12-17(15)41(19)21(26(34,35)36)27(37,38)39;1-4-5-8-21-16(24)14(18-3)10(2)15(17(21)25)20-19-12-9-11(22(26)27)6-7-13(12)23;1-3-4-7-21-16(24)12(9-18)10(2)15(17(21)25)20-19-13-8-11(22(26)27)5-6-14(13)23;/h5-13,20-21H,1-4H3;6-7,9,23,25H,4-5,8H2,1-2H3;5-6,8,23,25H,3-4,7H2,1-2H3;/q+1;;;/b;2*20-19-
• InChIKey: NIIWQSYMEQRSFC-MRIHNADRSA-N
• XLogP: 16.53
• TPSA: 295.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1405.11
LogP ≤ 5	16.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'dyes3A(19)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;cobalt;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-dimethylindol-1-ium-2-yl]methylidene]-3,3-dimethylindole?

The IUPAC name of 1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;cobalt;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-dimethylindol-1-ium-2-yl]methylidene]-3,3-dimethylindole (CID 159280339) is 1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;cobalt;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-dimethylindol-1-ium-2-yl]methylidene]-3,3-dimethylindole.

What is the SMILES notation for 1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;cobalt;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-dimethylindol-1-ium-2-yl]methylidene]-3,3-dimethylindole?

The canonical SMILES for 1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;cobalt;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-dimethylindol-1-ium-2-yl]methylidene]-3,3-dimethylindole is CC1(C)C(=CC2=[N+](C(C(F)(F)F)C(F)(F)F)c3ccccc3C2(C)C)N(C(C(F)(F)F)C(F)(F)F)c2ccccc21.CCCCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.[C-]#[N+]c1c(C)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(O)n(CCCC)c1=O.[Co].

What is the InChIKey of 1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;cobalt;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-dimethylindol-1-ium-2-yl]methylidene]-3,3-dimethylindole?

The InChIKey is NIIWQSYMEQRSFC-MRIHNADRSA-N. The full InChI is InChI=1S/C27H23F12N2.2C17H17N5O5.Co/c1-22(2)14-9-5-7-11-16(14)40(20(24(28,29)30)25(31,32)33)18(22)13-19-23(3,4)15-10-6-8-12-17(15)41(19)21(26(34,35)36)27(37,38)39;1-4-5-8-21-16(24)14(18-3)10(2)15(17(21)25)20-19-12-9-11(22(26)27)6-7-13(12)23;1-3-4-7-21-16(24)12(9-18)10(2)15(17(21)25)20-19-13-8-11(22(26)27)5-6-14(13)23;/h5-13,20-21H,1-4H3;6-7,9,23,25H,4-5,8H2,1-2H3;5-6,8,23,25H,3-4,7H2,1-2H3;/q+1;;;/b;2*20-19-;.

What are the key properties of 1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;cobalt;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-dimethylindol-1-ium-2-yl]methylidene]-3,3-dimethylindole?

1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;cobalt;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-dimethylindol-1-ium-2-yl]methylidene]-3,3-dimethylindole has a molecular weight of 1405.11 g/mol, XLogP of 16.53, 15 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;cobalt;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-dimethylindol-1-ium-2-yl]methylidene]-3,3-dimethylindole is sourced from PubChem (CID 159280339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).