chloroform;tetrakis(cobalt(2+));tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)

C65H53Cl3Co4N12O16 — CID 139174837

IUPACchloroform;tetrakis(cobalt(2+));tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)
SMILESCOC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.ClC(Cl)Cl.[Co+2].[Co+2].[Co+2].[Co+2]
InChIInChI=1S/4C16H15N3O4.CHCl3.4Co/c4*1-10(11-6-3-4-9-14(11)20)18-19-15(21)12-7-5-8-13(17-12)16(22)23-2;2-1(3)4;;;;/h4*3-9,20H,1-2H3,(H,19,21);1H;;;;/q;;;;;4*+2/p-8/b4*18-10-;;;;;
InChIKeyVTYMPTLDXYTTTO-OXSNWZIPSA-F
MW1600.30 g/mol
LogP3.87
Rot. Bonds16

About chloroform;tetrakis(cobalt(2+));tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)

chloroform;tetrakis(cobalt(2+));tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate) (PubChem CID 139174837) has the molecular formula C65H53Cl3Co4N12O16 and a molecular weight of 1600.30 g/mol. Its IUPAC name is chloroform;tetrakis(cobalt(2+));tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate).

Molecular Properties

Compound Namechloroform;tetrakis(cobalt(2+));tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)
PubChem CID139174837
Molecular FormulaC65H53Cl3Co4N12O16
Molecular Weight1600.30 g/mol
Exact Mass1598.01
IUPAC Namechloroform;tetrakis(cobalt(2+));tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)
SMILESCOC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.ClC(Cl)Cl.[Co+2].[Co+2].[Co+2].[Co+2]
InChIInChI=1S/4C16H15N3O4.CHCl3.4Co/c4*1-10(11-6-3-4-9-14(11)20)18-19-15(21)12-7-5-8-13(17-12)16(22)23-2;2-1(3)4;;;;/h4*3-9,20H,1-2H3,(H,19,21);1H;;;;/q;;;;;4*+2/p-8/b4*18-10-;;;;;
InChIKeyVTYMPTLDXYTTTO-OXSNWZIPSA-F
XLogP3.87
TPSA440.12 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001600.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 6-acetylpyridine-2-carboxylate
CID 11412711
CID 139162624
CID 139162624
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
1-[6-(hydroxymethyl)-2-pyridinyl]ethanone;methyl 6-acetylpyridine-2-carboxylate
CID 161351278
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
methyl 6-(3-oxo-3-phenylpropanoyl)pyridine-2-carboxylate
CID 91346041
methyl 6-(methoxymethyl)pyridine-2-carboxylate
CID 58850086
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate
CID 47325772
zinc;2-[1-(2-oxidophenyl)ethylideneamino]acetate;hydrate
CID 56589537
methyl 8-(dichloromethyl)naphthalene-1-carboxylate
CID 163824016
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060

Frequently Asked Questions

What is the IUPAC name of chloroform;tetrakis(cobalt(2+));tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)?
The IUPAC name of chloroform;tetrakis(cobalt(2+));tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate) (CID 139174837) is chloroform;tetrakis(cobalt(2+));tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate).
What is the SMILES notation for chloroform;tetrakis(cobalt(2+));tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)?
The canonical SMILES for chloroform;tetrakis(cobalt(2+));tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate) is COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.COC(=O)c1cccc(/C([O-])=N/N=C(/C)c2ccccc2[O-])n1.ClC(Cl)Cl.[Co+2].[Co+2].[Co+2].[Co+2].
What is the InChIKey of chloroform;tetrakis(cobalt(2+));tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)?
The InChIKey is VTYMPTLDXYTTTO-OXSNWZIPSA-F. The full InChI is InChI=1S/4C16H15N3O4.CHCl3.4Co/c4*1-10(11-6-3-4-9-14(11)20)18-19-15(21)12-7-5-8-13(17-12)16(22)23-2;2-1(3)4;;;;/h4*3-9,20H,1-2H3,(H,19,21);1H;;;;/q;;;;;4*+2/p-8/b4*18-10-;;;;;.
What are the key properties of chloroform;tetrakis(cobalt(2+));tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate)?
chloroform;tetrakis(cobalt(2+));tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate) has a molecular weight of 1600.30 g/mol, XLogP of 3.87, 16 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;tetrakis(cobalt(2+));tetrakis((NE,2Z)-6-methoxycarbonyl-N-[1-(2-oxidophenyl)ethylidene]pyridine-2-carbohydrazonate) is sourced from PubChem (CID 139174837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).