acetic acid;1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-isocyano-3-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;cobalt;tetrahydrate

C62H66Co2N24O12 — CID 159573361

About acetic acid;1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-isocyano-3-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;cobalt;tetrahydrate

acetic acid;1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-isocyano-3-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;cobalt;tetrahydrate (PubChem CID 159573361) has the molecular formula C62H66Co2N24O12 and a molecular weight of 1457.23 g/mol. Its IUPAC name is acetic acid;1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-isocyano-3-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;cobalt;tetrahydrate.

Molecular Properties

• Compound Name: acetic acid;1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-isocyano-3-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;cobalt;tetrahydrate
• PubChem CID: 159573361
• Molecular Formula: C62H66Co2N24O12
• Molecular Weight: 1457.23 g/mol
• Exact Mass: 1456.40
• IUPAC Name: acetic acid;1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-isocyano-3-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;cobalt;tetrahydrate
• SMILES: CC(=O)O.CCCCn1c(O)c(/N=N/c2c(C#N)cnn2-c2ccccn2)c(C)c(C#N)c1=O.O.O.O.O.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C)c([N+]#[C-])c(=O)n(CCCC)c1O.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C)c([N+]#[C-])c(O)n(CCCC)c1=O.[Co].[Co]
• InChI: InChI=1S/3C20H18N8O2.C2H4O2.2Co.4H2O/c2*1-5-6-11-27-19(29)16(22-4)13(2)17(20(27)30)25-26-18-14(21-3)12-24-28(18)15-9-7-8-10-23-15;1-3-4-9-27-19(29)15(11-22)13(2)17(20(27)30)25-26-18-14(10-21)12-24-28(18)16-7-5-6-8-23-16;1-2(3)4;;;;;;/h7-10,12,30H,5-6,11H2,1-2H3;7-10,12,29H,5-6,11H2,1-2H3;5-8,12,30H,3-4,9H2,1-2H3;1H3,(H,3,4);;;4*1H2/b3*26-25+
• InChIKey: LRGHZXCZBRRIEA-JTAIPKESSA-N
• XLogP: 9.71
• TPSA: 521.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1457.23
LogP ≤ 5	9.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-isocyano-3-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;cobalt;tetrahydrate?

The IUPAC name of acetic acid;1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-isocyano-3-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;cobalt;tetrahydrate (CID 159573361) is acetic acid;1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-isocyano-3-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;cobalt;tetrahydrate.

What is the SMILES notation for acetic acid;1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-isocyano-3-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;cobalt;tetrahydrate?

The canonical SMILES for acetic acid;1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-isocyano-3-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;cobalt;tetrahydrate is CC(=O)O.CCCCn1c(O)c(/N=N/c2c(C#N)cnn2-c2ccccn2)c(C)c(C#N)c1=O.O.O.O.O.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C)c([N+]#[C-])c(=O)n(CCCC)c1O.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(C)c([N+]#[C-])c(O)n(CCCC)c1=O.[Co].[Co].

What is the InChIKey of acetic acid;1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-isocyano-3-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;cobalt;tetrahydrate?

The InChIKey is LRGHZXCZBRRIEA-JTAIPKESSA-N. The full InChI is InChI=1S/3C20H18N8O2.C2H4O2.2Co.4H2O/c2*1-5-6-11-27-19(29)16(22-4)13(2)17(20(27)30)25-26-18-14(21-3)12-24-28(18)15-9-7-8-10-23-15;1-3-4-9-27-19(29)15(11-22)13(2)17(20(27)30)25-26-18-14(10-21)12-24-28(18)16-7-5-6-8-23-16;1-2(3)4;;;;;;/h7-10,12,30H,5-6,11H2,1-2H3;7-10,12,29H,5-6,11H2,1-2H3;5-8,12,30H,3-4,9H2,1-2H3;1H3,(H,3,4);;;4*1H2/b3*26-25+;;;;;;;.

What are the key properties of acetic acid;1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-isocyano-3-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;cobalt;tetrahydrate?

acetic acid;1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-isocyano-3-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;cobalt;tetrahydrate has a molecular weight of 1457.23 g/mol, XLogP of 9.71, 18 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;1-butyl-6-hydroxy-3-isocyano-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-isocyano-3-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methylpyridin-2-one;cobalt;tetrahydrate is sourced from PubChem (CID 159573361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).