cobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol

C32H22CoN10O12 — CID 170525154

IUPACcobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol
SMILESO=[N+]([O-])c1cc(/N=C\c2c([N+](=O)[O-])nn(-c3ccccc3)c2O)c(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1nn(-c2ccccc2)c(O)c1/C=N\c1ccccc1O.[Co]
InChIInChI=1S/C16H10N6O8.C16H12N4O4.Co/c23-14-12(6-10(20(25)26)7-13(14)21(27)28)17-8-11-15(22(29)30)18-19(16(11)24)9-4-2-1-3-5-9;21-14-9-5-4-8-13(14)17-10-12-15(20(23)24)18-19(16(12)22)11-6-2-1-3-7-11;/h1-8,23-24H;1-10,21-22H;/b17-8-;17-10-;
InChIKeyMMYWVGKJVHFIBX-WHKJPNDVSA-N
MW797.52 g/mol
LogP5.70
Rot. Bonds10

About cobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol

cobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol (PubChem CID 170525154) has the molecular formula C32H22CoN10O12 and a molecular weight of 797.52 g/mol. Its IUPAC name is cobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol.

Molecular Properties

Compound Namecobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol
PubChem CID170525154
Molecular FormulaC32H22CoN10O12
Molecular Weight797.52 g/mol
Exact Mass797.08
IUPAC Namecobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol
SMILESO=[N+]([O-])c1cc(/N=C\c2c([N+](=O)[O-])nn(-c3ccccc3)c2O)c(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1nn(-c2ccccc2)c(O)c1/C=N\c1ccccc1O.[Co]
InChIInChI=1S/C16H10N6O8.C16H12N4O4.Co/c23-14-12(6-10(20(25)26)7-13(14)21(27)28)17-8-11-15(22(29)30)18-19(16(11)24)9-4-2-1-3-5-9;21-14-9-5-4-8-13(14)17-10-12-15(20(23)24)18-19(16(12)22)11-6-2-1-3-7-11;/h1-8,23-24H;1-10,21-22H;/b17-8-;17-10-;
InChIKeyMMYWVGKJVHFIBX-WHKJPNDVSA-N
XLogP5.70
TPSA313.84 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500797.52
LogP ≤ 55.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze cobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol with MolForge

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Related Compounds

cobalt;4-[(2-hydroxyphenyl)iminomethyl]-1-(4-nitrophenyl)-3-propan-2-ylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-1-phenyl-3-propan-2-ylpyrazol-5-ol
CID 170525146
chromium;bis(2-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-4-nitrobenzoic acid)
CID 170524979
cobalt;bis(4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-(4-nitrophenyl)pyrazol-5-ol)
CID 170525033
2-[(2,4-dinitrophenyl)methylideneamino]phenol
CID 102417808
cobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol)
CID 170525159
cobalt;bis(ethyl 5-hydroxy-4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-1-(4-nitrophenyl)pyrazole-3-carboxylate)
CID 170525122
N-(4-nitrophenyl)-1-(2,4,6-trinitrophenyl)methanimine
CID 15466499
cobalt;2,4,6-trinitrophenol
CID 88826081
2-(anthracen-9-ylmethylideneamino)-4-nitrophenol
CID 932237
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
2-[(1,3-diphenylpyrazol-5-yl)iminomethyl]-4-nitrophenol
CID 4520619
3,5-dinitro-1-phenylindazole
CID 13221051

Frequently Asked Questions

What is the IUPAC name of cobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol?
The IUPAC name of cobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol (CID 170525154) is cobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol.
What is the SMILES notation for cobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol?
The canonical SMILES for cobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol is O=[N+]([O-])c1cc(/N=C\c2c([N+](=O)[O-])nn(-c3ccccc3)c2O)c(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1nn(-c2ccccc2)c(O)c1/C=N\c1ccccc1O.[Co].
What is the InChIKey of cobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol?
The InChIKey is MMYWVGKJVHFIBX-WHKJPNDVSA-N. The full InChI is InChI=1S/C16H10N6O8.C16H12N4O4.Co/c23-14-12(6-10(20(25)26)7-13(14)21(27)28)17-8-11-15(22(29)30)18-19(16(11)24)9-4-2-1-3-5-9;21-14-9-5-4-8-13(14)17-10-12-15(20(23)24)18-19(16(12)22)11-6-2-1-3-7-11;/h1-8,23-24H;1-10,21-22H;/b17-8-;17-10-;.
What are the key properties of cobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol?
cobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol has a molecular weight of 797.52 g/mol, XLogP of 5.70, 10 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol is sourced from PubChem (CID 170525154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).